Geometry & MOs

Info

ID:	421799
PubChem CID:	135116636
Reduced:	NO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	364.215078
ΔH_f, kcal/mol:	-98.87
Dipole, Da:	3.29
IP(EA), eV:	-9.17(0.06)
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]-(3-phenylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)C(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations