Geometry & MOs

Info

ID:	420282
PubChem CID:	135112231
Reduced:	SN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	308.165541
ΔH_f, kcal/mol:	-50.22
Dipole, Da:	6.06
IP(EA), eV:	-8.4(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CC3=CC=C(C=C3)N)C4=C1C=CS4

DOS

IR

Vibrations