Geometry & MOs

Info

ID:	136214
PubChem CID:	51999787
Reduced:	N2O2C11H15 (2)
Stoich.:	A2B2C11D15 (2)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-121.84
Dipole, Da:	7.46
IP(EA), eV:	-8.26(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclohexanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations