Geometry & MOs

Info

ID:	422865
PubChem CID:	135118536
Reduced:	SN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	379.187147
ΔH_f, kcal/mol:	-47.23
Dipole, Da:	3.99
IP(EA), eV:	-9.25(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-1-methyl-7-[8-(trifluoromethyl)quinolin-4-yl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CC(C3=CC=CC=C3)N)C4=C1SC=C4

DOS

IR

Vibrations