Geometry & MOs

Info

ID:	321441
PubChem CID:	126666042
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	262.93487
ΔH_f, kcal/mol:	-14.69
Dipole, Da:	7.13
IP(EA), eV:	-9.76(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-bromo-N-(4-chlorophenyl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C#N)C3=CC=CO3

DOS

IR

Vibrations