Geometry & MOs

Info

ID:	418953
PubChem CID:	135107216
Reduced:	O2F3N3C16H18 (1)
Stoich.:	A2B3C3D16E18 (1)
Weight, g/mol:	370.121483
ΔH_f, kcal/mol:	-220.37
Dipole, Da:	4.71
IP(EA), eV:	-9.95(-1.47)
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-(2,6-dichlorophenyl)ethanone

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=CN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations