Geometry & MOs

Info

ID:	419635
PubChem CID:	135108570
Reduced:	N2O3C27H36 (1)
Stoich.:	A2B3C27D36 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-108.85
Dipole, Da:	5.33
IP(EA), eV:	-8.72(0.05)
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]-(4-hydroxy-2-methylphenyl)methanone

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCC2(CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations