Geometry & MOs

Info

ID:	418603
PubChem CID:	135106115
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-122.88
Dipole, Da:	3.72
IP(EA), eV:	-8.29(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C1=CN=C(C=C1)N2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC

DOS

IR

Vibrations