Geometry & MOs

Info

ID:	138398
PubChem CID:	52360202
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-81.74
Dipole, Da:	5.94
IP(EA), eV:	-9.13(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCC[C@@H]2C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations