Geometry & MOs

Info

ID:	173226
PubChem CID:	75611613
Reduced:	I2N2O3H14C21 (1)
Stoich.:	A2B2C3D14E21 (1)
Weight, g/mol:	332.134536
ΔH_f, kcal/mol:	39.5
Dipole, Da:	6.97
IP(EA), eV:	-8.76(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(benzotriazol-1-yl)propan-2-ylideneamino]-4-nitropyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=C(C4=O)I)I

DOS

IR

Vibrations