Geometry & MOs

Info

ID:	418135
PubChem CID:	135103645
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	354.241962
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	4.04
IP(EA), eV:	-9.27(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=NC(=NO1)COC)C(=O)C2=CC=CN2C

DOS

IR

Vibrations