Geometry & MOs

Info

ID:	362685
PubChem CID:	127309119
Reduced:	ClO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-1.69
Dipole, Da:	6.75
IP(EA), eV:	-9.23(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)C(=O)NC4CCOC5=C4C=CC=C5Cl

DOS

IR

Vibrations