Geometry & MOs

Info

ID:	420541
PubChem CID:	135113740
Reduced:	ON4C25H26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	338.180584
ΔH_f, kcal/mol:	28.29
Dipole, Da:	2.58
IP(EA), eV:	-9.34(-0.9)
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]-(2,6-difluoro-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations