Geometry & MOs

Info

ID:	79182
PubChem CID:	49747280
Reduced:	Cl2N3O3C24H25 (1)
Stoich.:	A2B3C3D24E25 (1)
Weight, g/mol:	493.239913
ΔH_f, kcal/mol:	-49.71
Dipole, Da:	2.67
IP(EA), eV:	-7.79(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C3=CC(=CC(=C3)Cl)Cl)C4=CC=CO4

DOS

IR

Vibrations