Geometry & MOs

Info

ID:	420110
PubChem CID:	135111196
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	368.246378
ΔH_f, kcal/mol:	-84.42
Dipole, Da:	4.48
IP(EA), eV:	-8.97(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(O2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=CC=N4

DOS

IR

Vibrations