Geometry & MOs

Info

ID:	421681
PubChem CID:	135116417
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-120.05
Dipole, Da:	5.47
IP(EA), eV:	-8.97(-0.48)
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]-(1-phenylcyclopropyl)methanone

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)CCCN3C=CC=C3)C(=O)O)C(=O)O

DOS

IR

Vibrations