Geometry & MOs

Info

ID:	417272
PubChem CID:	135091899
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	330.230728
ΔH_f, kcal/mol:	-65.69
Dipole, Da:	5.11
IP(EA), eV:	-8.58(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3CC(=O)N(C3)CC4=CC=CC=N4)C5=C1C6=CC=CC=C6N5

DOS

IR

Vibrations