Geometry & MOs

Info

ID:	351283
PubChem CID:	127280171
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	3.92
IP(EA), eV:	-8.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCN(CC2)C(=O)CC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations