Geometry & MOs

Info

ID:	362235
PubChem CID:	127307248
Reduced:	OSN6C16H22 (1)
Stoich.:	ABC6D16E22 (1)
Weight, g/mol:	331.119988
ΔH_f, kcal/mol:	38.4
Dipole, Da:	5.04
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)NC(=O)N2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations