Geometry & MOs

Info

ID:	11754
PubChem CID:	120477
Reduced:	BrPO2N3C11H13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	328.99288
ΔH_f, kcal/mol:	-56.78
Dipole, Da:	4.76
IP(EA), eV:	-9.81(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[bis(aziridin-1-yl)phosphoryl]-2-bromobenzamide

Drug info:

PubChemData

Smile

C1CN1P(=O)(NC(=O)C2=CC=CC=C2Br)N3CC3

DOS

IR

Vibrations