Geometry & MOs

Info

ID:	193824
PubChem CID:	78443172
Reduced:	O2C12H17 (1)
Stoich.:	A2B12C17 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-42.0
Dipole, Da:	4.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.780981
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-5-oxopyrazolidin-4-yl)-N-(1-naphthalen-2-ylethylideneamino)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=O)[O-]

DOS

IR

Vibrations