Geometry & MOs

Info

ID:	140615
PubChem CID:	52730408
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	374.186852
ΔH_f, kcal/mol:	-110.97
Dipole, Da:	4.61
IP(EA), eV:	-8.99(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-[[3-(naphthalene-2-carbonylamino)phenyl]methyl]pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCCC(=O)NC2=CC=CC(=C2)CN3CCC[C@@H]3C(=O)N)C

DOS

IR

Vibrations