Geometry & MOs

Info

ID:	169411
PubChem CID:	75101780
Reduced:	ClN3O4C30H32 (1)
Stoich.:	AB3C4D30E32 (1)
Weight, g/mol:	484.202989
ΔH_f, kcal/mol:	-73.57
Dipole, Da:	8.09
IP(EA), eV:	-8.72(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-4-(naphthalen-1-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5)OCC(=C)Cl

DOS

IR

Vibrations