Geometry & MOs

Info

ID:	192325
PubChem CID:	78256896
Reduced:	N4O4C18H27 (1)
Stoich.:	A4B4C18D27 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-108.49
Dipole, Da:	5.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.207623
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

COCC1CC(=O)NC(N1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations