Geometry & MOs

Info

ID:	12351
PubChem CID:	135737
Reduced:	PO4N5C12H16 (1)
Stoich.:	AB4C5D12E16 (1)
Weight, g/mol:	325.093991
ΔH_f, kcal/mol:	-71.38
Dipole, Da:	8.91
IP(EA), eV:	-9.16(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bis(aziridin-1-yl)phosphoryl]-3-(4-methyl-3-nitrophenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NP(=O)(N2CC2)N3CC3)[N+](=O)[O-]

DOS

IR

Vibrations