Geometry & MOs

Info

ID:	180464
PubChem CID:	76637729
Reduced:	ClOSN4H7C11 (1)
Stoich.:	ABCD4E7F11 (1)
Weight, g/mol:	357.15896
ΔH_f, kcal/mol:	40.99
Dipole, Da:	4.33
IP(EA), eV:	-9.01(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethylamino)-3-phenyl-5-(3H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazol-4-one

Drug info:

PubChemData

Smile

C1=CC(=NC2=C1C(=CN2)C=C3C(=O)NC(=S)N3)Cl

DOS

IR

Vibrations