Geometry & MOs

Info

ID:	147159
PubChem CID:	53786812
Reduced:	N3O3C9H16 (1)
Stoich.:	A3B3C9D16 (1)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	-75.57
Dipole, Da:	5.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.786750
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-(4-methoxynaphthalen-1-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(ON=[N+]1CCCCCC(=O)O)N

DOS

IR

Vibrations