Geometry & MOs

Info

ID:	435497
PubChem CID:	135191617
Reduced:	O3N5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	361.251798
ΔH_f, kcal/mol:	-14.91
Dipole, Da:	6.39
IP(EA), eV:	-8.5(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-N-butan-2-yl-2-[(E)-but-1-enyl]-3-propylidene-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)cyclopenten-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCN2CCN(CC2)C)NC3=C(C(=O)/C(=C/C4=CNC5=C4C=CC=N5)/O3)C=O

DOS

IR

Vibrations