Geometry & MOs

Info

ID:	346571
PubChem CID:	127271075
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-29.86
Dipole, Da:	4.66
IP(EA), eV:	-8.41(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[1-(propylcarbamoyl)cyclohexyl]-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCC(C2)CNC(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations