Geometry & MOs

Info

ID:	418032
PubChem CID:	135103356
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	333.252861
ΔH_f, kcal/mol:	-64.18
Dipole, Da:	4.42
IP(EA), eV:	-9.16(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O)C5=C1C=CS5

DOS

IR

Vibrations