Geometry & MOs

Info

ID:	417139
PubChem CID:	135091448
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	292.195092
ΔH_f, kcal/mol:	-120.7
Dipole, Da:	4.1
IP(EA), eV:	-8.62(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@@H]1O)(CC2CC2)C(=O)O)C(=O)CN3C=CC4=CC=CC=C43

DOS

IR

Vibrations