Geometry & MOs

Info

ID:	419706
PubChem CID:	135108726
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	330.230728
ΔH_f, kcal/mol:	-129.26
Dipole, Da:	6.92
IP(EA), eV:	-9.26(-0.7)
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]-4-phenylbutan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=CN1)C(=O)N2C[C@H]3CCC[C@@]([C@H]3C2)(C4=CC=CC=C4)O

DOS

IR

Vibrations