Geometry & MOs

Info

ID:	419990
PubChem CID:	135110602
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	346.262028
ΔH_f, kcal/mol:	-82.95
Dipole, Da:	5.42
IP(EA), eV:	-9.38(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N=CO1)C(=O)N2CCCN(CC2)C(=O)C3=CC(=NC(=C3)C)C

DOS

IR

Vibrations