Geometry & MOs

Info

ID:	421926
PubChem CID:	135116855
Reduced:	ClN2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	352.196234
ΔH_f, kcal/mol:	-101.36
Dipole, Da:	8.05
IP(EA), eV:	-8.77(0.07)
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]-3-(2,4-difluorophenyl)propan-1-one

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)NC3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations