Geometry & MOs

Info

ID:	129825
PubChem CID:	51073974
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	288.077789
ΔH_f, kcal/mol:	-34.79
Dipole, Da:	3.32
IP(EA), eV:	-9.28(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CC1)C(=O)C2=CSC=C2

DOS

IR

Vibrations