Geometry & MOs

Info

ID:	362690
PubChem CID:	127309124
Reduced:	O2N5C18H31 (1)
Stoich.:	A2B5C18D31 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-57.33
Dipole, Da:	3.64
IP(EA), eV:	-8.95(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(C1)CNC(=O)N2CCN(CC2)C(C)C3=NC(=NO3)C

DOS

IR

Vibrations