Geometry & MOs

Info

ID:	421924
PubChem CID:	135116853
Reduced:	NO2C21H33 (1)
Stoich.:	AB2C21D33 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-106.07
Dipole, Da:	4.38
IP(EA), eV:	-8.64(0.4)
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-(dimethylamino)phenyl]methanone

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC=CC(=C1)CN(C)C2C[C@@H]3CC(C[C@@H]3C2)O

DOS

IR

Vibrations