Geometry & MOs

Info

ID:	71967
PubChem CID:	48415667
Reduced:	ON6C18H18 (1)
Stoich.:	AB6C18D18 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	78.47
Dipole, Da:	6.74
IP(EA), eV:	-8.66(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-[3-(1H-benzimidazol-2-yl)propyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=NNN=C4C=C3

DOS

IR

Vibrations