Geometry & MOs

Info

ID:	345573
PubChem CID:	127269873
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-71.16
Dipole, Da:	1.46
IP(EA), eV:	-9.23(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclohexylacetyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)OC=C2)NC(=O)N3CCC(CC3)C4=NC5=C(O4)C=CC(=C5)Cl

DOS

IR

Vibrations