Geometry & MOs

Info

ID:	435467
PubChem CID:	135191541
Reduced:	NC14H21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	332.09094
ΔH_f, kcal/mol:	2.88
Dipole, Da:	3.45
IP(EA), eV:	-7.46(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-oxo-2-(pyridin-4-ylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C)N(C(=C1)C2CCCCC2)C

DOS

IR

Vibrations