Geometry & MOs

Info

ID:	284830
PubChem CID:	104073971
Reduced:	ClON4C9H13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	286.092912
ΔH_f, kcal/mol:	-7.51
Dipole, Da:	1.94
IP(EA), eV:	-8.94(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-2-methylpropyl)-4-(trifluoromethoxy)benzamide

Drug info:

PubChemData

Smile

C1CC1C(CNC2=NC=NC(=C2Cl)N)O

DOS

IR

Vibrations