Geometry & MOs

Info

ID:	392216
PubChem CID:	135013716
Reduced:	PSN2C20H26 (1)
Stoich.:	ABC2D20E26 (1)
Weight, g/mol:	538.207942
ΔH_f, kcal/mol:	-22.88
Dipole, Da:	5.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768444
Charge, e:	0

Chem-info

IUPAC name:

7-(dimethylamino)-4-hydroxy-3-[(4R)-6-methoxy-3,3-dimethyl-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinolin-4-yl]chromen-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2CCN([P+]2=S)C3=C(C=C(C=C3C)C)C)C

DOS

IR

Vibrations