Geometry & MOs

Info

ID:

435500

PubChem CID:

135191634

Reduced:

N2O2C15H16 (2)

Stoich.:

A2B2C15D16 (2)

Weight, g/mol:

383.236148

ΔHf, kcal/mol:

-73.85

Dipole, Da:

4.83

IP(EA), eV:

 -8.82(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1E,4E)-2-ethenyl-3-methylidene-4-[(4-methyl-2-propylphenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)penta-1,4-dien-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCC(CC2)O)NC3=C(C(=O)/C(=C/C4=CNC5=C4C=CC=N5)/O3)C(=O)C6CCC6

DOS

IR

Vibrations