Geometry & MOs

Info

ID:	145871
PubChem CID:	53605538
Reduced:	O2F3N3C14H14 (1)
Stoich.:	A2B3C3D14E14 (1)
Weight, g/mol:	322.190595
ΔH_f, kcal/mol:	-167.22
Dipole, Da:	5.09
IP(EA), eV:	-9.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]quinoxalin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NC2=CC=CC(=N2)C(F)(F)F

DOS

IR

Vibrations