Geometry & MOs

Info

ID:	416302
PubChem CID:	135089315
Reduced:	NF2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	338.180584
ΔH_f, kcal/mol:	-170.99
Dipole, Da:	4.87
IP(EA), eV:	-9.41(-0.44)
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]-(2,3-difluoro-4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)CC3=C(C=C(C=C3)F)F)OCC1

DOS

IR

Vibrations