Geometry & MOs

Info

ID:	420623
PubChem CID:	135114435
Reduced:	OSN5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	18.69
Dipole, Da:	2.54
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@]1(C[C@H]2CC[C@@H]1N2C3=NC=CC(=N3)N)C(=O)NCC4=CSC=C4

DOS

IR

Vibrations