Geometry & MOs

Info

ID:	356508
PubChem CID:	127291655
Reduced:	ON3C7H10 (2)
Stoich.:	AB3C7D10 (2)
Weight, g/mol:	379.161995
ΔH_f, kcal/mol:	-12.89
Dipole, Da:	7.26
IP(EA), eV:	-9.62(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)CC(=O)N4CCNC(=O)C4

DOS

IR

Vibrations