Geometry & MOs

Info

ID:	223523
PubChem CID:	85335174
Reduced:	OSF3N3C20H22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	415.15418
ΔH_f, kcal/mol:	-140.95
Dipole, Da:	6.36
IP(EA), eV:	-9.54(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3,4-dichlorophenyl)methylamino]-3-(5-methoxypentyl)-2,3a,5,6,7,7a-hexahydro-1H-triazolo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC#N)NC(C1=CC=C(S1)C2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations