Geometry & MOs

Info

ID:	14586
PubChem CID:	415418
Reduced:	PCl2N3O4C16H18 (1)
Stoich.:	AB2C3D4E16F18 (1)
Weight, g/mol:	417.041199
ΔH_f, kcal/mol:	-127.85
Dipole, Da:	6.23
IP(EA), eV:	-9.28(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OP(=O)(NC2=CC(=CC=C2)[N+](=O)[O-])N(CCCl)CCCl

DOS

IR

Vibrations