Geometry & MOs

Info

ID:	367812
PubChem CID:	127325909
Reduced:	OSN3C7H9 (2)
Stoich.:	ABC3D7E9 (2)
Weight, g/mol:	386.243024
ΔH_f, kcal/mol:	24.88
Dipole, Da:	3.95
IP(EA), eV:	-9.61(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]methyl]cyclohexyl]-1,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCC(CC1)NC(=O)C2=CSN=N2)C(=O)C3=CSN=N3

DOS

IR

Vibrations