Geometry & MOs

Info

ID:	368468
PubChem CID:	127328944
Reduced:	ON5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	388.258674
ΔH_f, kcal/mol:	-37.13
Dipole, Da:	3.55
IP(EA), eV:	-9.12(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexanecarbonyl)-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(CC1)C(=O)NCC2CCC3=NN=C(N3C2)C

DOS

IR

Vibrations