Geometry & MOs

Info

ID:	413181
PubChem CID:	135086127
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	286.088434
ΔH_f, kcal/mol:	-76.3
Dipole, Da:	2.16
IP(EA), eV:	-9.07(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(Z)-[2-chloro-1-(4-fluorophenyl)ethylidene]amino]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=N/NC(=O)OC(C)(C)C)/CCl

DOS

IR

Vibrations