Geometry & MOs

Info

ID:	146820
PubChem CID:	53755409
Reduced:	NOCl3C8H10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	387.158292
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	3.29
IP(EA), eV:	-9.99(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[4-[(6-cyanonaphthalen-2-yl)carbamoyl]phenyl]carbamic acid

Drug info:

PubChemData

Smile

C(C=CCl)N(CC=CCl)C(=O)CCl

DOS

IR

Vibrations