Geometry & MOs

Info

ID:	49277
PubChem CID:	11532589
Reduced:	ON2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	454.181191
ΔH_f, kcal/mol:	-3.12
Dipole, Da:	5.58
IP(EA), eV:	-8.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-(4-chlorophenyl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1N(CCC3=CNC4=CC=CC=C43)CCO)C=CC(=C2)C(=O)NC5=CC=CC=C5N

DOS

IR

Vibrations