Geometry & MOs

Info

ID:	422332
PubChem CID:	135117651
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	-171.6
Dipole, Da:	3.27
IP(EA), eV:	-9.62(-0.15)
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-(3,5-dimethylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CC3=CC=C(C=C3)CO)C(=O)O

DOS

IR

Vibrations