Geometry & MOs

Info

ID:	160924
PubChem CID:	57390256
Reduced:	N5C17H17 (1)
Stoich.:	A5B17C17 (1)
Weight, g/mol:	495.192308
ΔH_f, kcal/mol:	104.85
Dipole, Da:	1.4
IP(EA), eV:	-8.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-diphenoxyphosphoryl-2-(4-nitrophenyl)-N,N-di(propan-2-yl)ethanimidamide

Drug info:

PubChemData

Smile

CC(C)(C)NC1=C(N2C=CC=NC2=N1)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations