Geometry & MOs

Info

ID:	221587
PubChem CID:	85280744
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	288.133474
ΔH_f, kcal/mol:	12.77
Dipole, Da:	4.98
IP(EA), eV:	-9.04(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-cyano-5-(4-nitrophenyl)pyrazolidin-3-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

CC(=CC1=CC=CN1C2=CC=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations