Geometry & MOs

Info

ID:	422640
PubChem CID:	135118177
Reduced:	N3O4C22H31 (1)
Stoich.:	A3B4C22D31 (1)
Weight, g/mol:	320.190006
ΔH_f, kcal/mol:	-124.63
Dipole, Da:	1.85
IP(EA), eV:	-8.74(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OCC(=O)N2CCCN(CC2)C(=O)[C@@H]3CCCN3CC=C

DOS

IR

Vibrations