Geometry & MOs

Info

ID:	418777
PubChem CID:	135106788
Reduced:	SN2O2C16H26 (1)
Stoich.:	AB2C2D16E26 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	3.57
IP(EA), eV:	-9.03(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC)N(C)CC1=CC=C(S1)C2CCCCO2

DOS

IR

Vibrations