Geometry & MOs

Info

ID:	228179
PubChem CID:	87563605
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	631.165423
ΔH_f, kcal/mol:	-1.63
Dipole, Da:	1.49
IP(EA), eV:	-8.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-nitrophenyl)methyl]piperidin-1-yl]quinazoline-4-carboxamide

Drug info:

PubChemData

Smile

C1CNCCC12C=C3C=CC=CC3=CO2

DOS

IR

Vibrations