Geometry & MOs

Info

ID:	71968
PubChem CID:	48415668
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-100.51
Dipole, Da:	3.14
IP(EA), eV:	-9.05(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[3-(1H-benzimidazol-2-yl)propyl-methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations