Geometry & MOs

Info

ID:	414633
PubChem CID:	135087592
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	1.86
Dipole, Da:	4.78
IP(EA), eV:	-8.44(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CC4=CC=C(C=C4)N

DOS

IR

Vibrations