Geometry & MOs

Info

ID:	190090
PubChem CID:	77952533
Reduced:	ClN3O3C22H28 (1)
Stoich.:	AB3C3D22E28 (1)
Weight, g/mol:	463.244662
ΔH_f, kcal/mol:	-94.38
Dipole, Da:	8.92
IP(EA), eV:	-9.03(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3C(=CC=NC3=O)C)Cl

DOS

IR

Vibrations