Geometry & MOs

Info

ID:

377498

PubChem CID:

134223553

Reduced:

NOH16C27 (2)

Stoich.:

ABC16D27 (2)

Weight, g/mol:

413.210327

ΔHf, kcal/mol:

181.21

Dipole, Da:

2.16

IP(EA), eV:

 -8.06(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,6-dimethylidenepiperidin-3-yl)-2-formyl-5-[(E,4Z)-4-(6-iminocyclohexa-2,4-dien-1-ylidene)but-2-enyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=C6C=C8C9=CC=CC=C9OC8=C7)C1=CC=CC=C1)C1=C3C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations