Geometry & MOs

Info

ID:	422739
PubChem CID:	135118327
Reduced:	O2N3C25H27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	342.155512
ΔH_f, kcal/mol:	-14.02
Dipole, Da:	8.92
IP(EA), eV:	-9.25(-0.51)
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-trifluorophenyl)methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=CC=CC=C2C(=O)N3C[C@H]4CCC[C@@]([C@H]4C3)(C5=CC=CC=C5)O

DOS

IR

Vibrations