Geometry & MOs

Info

ID:	243866
PubChem CID:	99289494
Reduced:	BrN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	3.02
IP(EA), eV:	-8.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C[C@@H]2CCCN2C(=O)CNC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations