Geometry & MOs

Info

ID:	136213
PubChem CID:	51999786
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	414.226705
ΔH_f, kcal/mol:	-86.0
Dipole, Da:	4.29
IP(EA), eV:	-8.61(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)NCCC2=CC=C(C=C2)OC)NC(=O)C3CCCCC3

DOS

IR

Vibrations