Geometry & MOs

Info

ID:	425209
PubChem CID:	135125527
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	497.192626
ΔH_f, kcal/mol:	-27.03
Dipole, Da:	3.56
IP(EA), eV:	-8.91(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC1OC2=CC=C(C=C2)C3CC(=O)C3

DOS

IR

Vibrations