Geometry & MOs

Info

ID:	380955
PubChem CID:	134971566
Reduced:	NOH23C25 (1)
Stoich.:	ABC23D25 (1)
Weight, g/mol:	397.128963
ΔH_f, kcal/mol:	27.31
Dipole, Da:	3.32
IP(EA), eV:	-8.97(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-4-methoxy-1,2-diphenyl-4-(trifluoromethyl)-1H-isoquinolin-3-one

Drug info:

PubChemData

Smile

C1CCC2(C1)C3=CC=CC=C3C(N(C2=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations