Geometry & MOs

Info

ID:	347204
PubChem CID:	127271745
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-81.1
Dipole, Da:	4.49
IP(EA), eV:	-9.45(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-(2-methyl-1H-indol-5-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N3CCC(CC3)O

DOS

IR

Vibrations