Geometry & MOs

Info

ID:	420607
PubChem CID:	135114277
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	-56.5
Dipole, Da:	2.84
IP(EA), eV:	-8.54(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCCN(CC2)CCC3=CNC(=O)N(C3=O)C

DOS

IR

Vibrations