Geometry & MOs

Info

ID:	420821
PubChem CID:	135114888
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	396.217971
ΔH_f, kcal/mol:	-73.17
Dipole, Da:	8.25
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)N)C(=O)C1=C(ON=C1N2CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations