Geometry & MOs

Info

ID:	336007
PubChem CID:	127255014
Reduced:	ON6H18C19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	73.05
Dipole, Da:	3.51
IP(EA), eV:	-9.1(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(1H-benzimidazol-2-yl)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)CCCNC(=O)C3=CC(=NN3)C4=CC=NC=C4

DOS

IR

Vibrations