Geometry & MOs

Info

ID:	367804
PubChem CID:	127325901
Reduced:	ON3C10H15 (2)
Stoich.:	AB3C10D15 (2)
Weight, g/mol:	386.243024
ΔH_f, kcal/mol:	-39.36
Dipole, Da:	6.1
IP(EA), eV:	-9.33(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(1,3-dimethylpyrazole-4-carbonyl)-methylamino]methyl]cyclohexyl]-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2CCC(CC2)CN(C)C(=O)C3=CC(=NN3C)C)C

DOS

IR

Vibrations