Geometry & MOs

Info

ID:	68598
PubChem CID:	46508730
Reduced:	FO4N5C23H34 (1)
Stoich.:	AB4C5D23E34 (1)
Weight, g/mol:	400.125944
ΔH_f, kcal/mol:	-219.91
Dipole, Da:	6.06
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-quinolin-8-ylacetamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)CC(=O)NC(C2=CC=C(C=C2)F)C(C)C)N

DOS

IR

Vibrations