Geometry & MOs

Info

ID:	346563
PubChem CID:	127271067
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	373.19026
ΔH_f, kcal/mol:	-20.02
Dipole, Da:	7.02
IP(EA), eV:	-9.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)C3=CC(=CC4=C3NN=C4)C

DOS

IR

Vibrations