Geometry & MOs

Info

ID:	418143
PubChem CID:	135103655
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	350.176106
ΔH_f, kcal/mol:	-72.65
Dipole, Da:	4.85
IP(EA), eV:	-8.75(-0.12)
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]-3-(4-chlorophenyl)propan-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCC(=O)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations