Geometry & MOs

Info

ID:	238722
PubChem CID:	92765204
Reduced:	ClO2N3C28H28 (1)
Stoich.:	AB2C3D28E28 (1)
Weight, g/mol:	473.187005
ΔH_f, kcal/mol:	8.95
Dipole, Da:	6.53
IP(EA), eV:	-8.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)[C@@H](C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4O3)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations