Geometry & MOs

Info

ID:	297586
PubChem CID:	117622385
Reduced:	ON5H11C15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	553.222623
ΔH_f, kcal/mol:	75.27
Dipole, Da:	2.49
IP(EA), eV:	-8.79(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-ylmethyl)-2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C3=CN(N=C3)C4=NC=NC=C4)NC1=O

DOS

IR

Vibrations