Geometry & MOs

Info

ID:	362792
PubChem CID:	127309340
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-90.01
Dipole, Da:	3.3
IP(EA), eV:	-9.08(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)NCCNC(=O)CC3CCCCC3

DOS

IR

Vibrations