Geometry & MOs

Info

ID:	435491
PubChem CID:	135191611
Reduced:	N3C13H19 (1)
Stoich.:	A3B13C19 (1)
Weight, g/mol:	343.113233
ΔH_f, kcal/mol:	30.89
Dipole, Da:	4.93
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-5-[[(2Z,4E)-3,5-difluorohexa-2,4-dien-2-yl]amino]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-one

Drug info:

PubChemData

Smile

CCC1=NC2=NC(=CN2C=C1)C(C)(C)CC

DOS

IR

Vibrations