Geometry & MOs

Info

ID:	367955
PubChem CID:	127326138
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	361.284161
ΔH_f, kcal/mol:	-26.26
Dipole, Da:	5.98
IP(EA), eV:	-8.6(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-methylcyclohexyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)CC(=O)NC3=CC(=NN3C)C

DOS

IR

Vibrations