Geometry & MOs

Info

ID:	422664
PubChem CID:	135118211
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	329.171497
ΔH_f, kcal/mol:	-139.85
Dipole, Da:	4.75
IP(EA), eV:	-9.75(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-1-methyl-7-[4-(trifluoromethyl)pyridin-2-yl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C(=O)O)NC(=O)CCN2C(=C(C(=N2)C)C(=O)C)C

DOS

IR

Vibrations