Geometry & MOs

Info

ID:	413810
PubChem CID:	135086760
Reduced:	ClN2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	282.113506
ΔH_f, kcal/mol:	-49.98
Dipole, Da:	2.63
IP(EA), eV:	-8.91(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(Z)-[2-chloro-1-(3-methylphenyl)ethylidene]amino]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N/N=C(\CCl)/C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations