Geometry & MOs

Info

ID:	422699
PubChem CID:	135118266
Reduced:	N4O4C21H30 (1)
Stoich.:	A4B4C21D30 (1)
Weight, g/mol:	358.186813
ΔH_f, kcal/mol:	-132.85
Dipole, Da:	5.78
IP(EA), eV:	-8.77(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=CC=C(C=C2)OCC(=O)NCC3CCCO3

DOS

IR

Vibrations