Geometry & MOs

Info

ID:	418165
PubChem CID:	135103737
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	30.0
Dipole, Da:	3.11
IP(EA), eV:	-8.49(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)C(=O)CN4C=CC5=CC=CC=C54

DOS

IR

Vibrations