Geometry & MOs

Info

ID:	347146
PubChem CID:	127271650
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-3.13
Dipole, Da:	5.53
IP(EA), eV:	-8.73(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCCN3CCC4=CC=CC=C4C3

DOS

IR

Vibrations