Geometry & MOs

Info

ID:	415485
PubChem CID:	135088481
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	38.65
Dipole, Da:	5.14
IP(EA), eV:	-8.12(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC2=CC=CC=C12)CN(C)CC(=O)NC3=NN(C=C3)C

DOS

IR

Vibrations