Geometry & MOs

Info

ID:	189490
PubChem CID:	77865524
Reduced:	OC20H30 (1)
Stoich.:	AB20C30 (1)
Weight, g/mol:	432.252526
ΔH_f, kcal/mol:	-62.87
Dipole, Da:	2.85
IP(EA), eV:	-8.55(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[2-(2-imidazol-1-ylethyl)-4-phenylmethoxypyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC(=C1CCC=C1C(=O)C2CCCCC2)C3CCCCC3

DOS

IR

Vibrations