Geometry & MOs

Info

ID:	69364
PubChem CID:	46530853
Reduced:	FO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-64.49
Dipole, Da:	2.73
IP(EA), eV:	-9.14(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)NCC(C2=CC(=CC=C2)F)N(C)C

DOS

IR

Vibrations