Geometry & MOs

Info

ID:	160059
PubChem CID:	57304529
Reduced:	NPO3C8H16 (1)
Stoich.:	ABC3D8E16 (1)
Weight, g/mol:	338.96617
ΔH_f, kcal/mol:	-185.87
Dipole, Da:	3.07
IP(EA), eV:	-10.47(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl) N-[4-(chloromethyl)phenyl]carbamate

Drug info:

PubChemData

Smile

CC(C)OP(=O)(C(C)C)OCC#N

DOS

IR

Vibrations