Geometry & MOs

Info

ID:	347137
PubChem CID:	127271641
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-48.27
Dipole, Da:	9.59
IP(EA), eV:	-8.02(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexyl-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)C3=CN(N=C3C4CCCCC4)C

DOS

IR

Vibrations