Geometry & MOs

Info

ID:

449017

PubChem CID:

135295231

Reduced:

NOPC27H38 (1)

Stoich.:

ABCD27E38 (1)

Weight, g/mol:

528.325297

ΔHf, kcal/mol:

-7.67

Dipole, Da:

2.8

IP(EA), eV:

 -7.76(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,4E)-5-[(5E)-5-[(E)-2-(2,4-dimethyl-1H-pyrrol-3-yl)but-2-enylidene]-4-methylidene-1-[(2E,4Z)-2-methyl-1-pyridin-2-ylhepta-2,4,6-trienyl]pyrrolidin-3-yl]-2-methylhepta-2,4,6-trienenitrile

Drug info:

PubChemData

Smile

CCC1=C(C(=C(P1)C)C2=CN(C(C(=C2)C)C(CC(C)C)C3=CCC(C=C3)C=O)C)C

DOS

IR

Vibrations