Geometry & MOs

Info

ID:	413420
PubChem CID:	135086369
Reduced:	Cl2N2O2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	346.00837
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	4.48
IP(EA), eV:	-9.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(Z)-[1-(4-bromophenyl)-2-chloroethylidene]amino]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N/N=C(\CCl)/C1=CC=C(C=C1)Cl

DOS

IR

Vibrations