Geometry & MOs

Info

ID:	28602
PubChem CID:	828542
Reduced:	NSO5C13H13 (1)
Stoich.:	ABC5D13E13 (1)
Weight, g/mol:	304.097855
ΔH_f, kcal/mol:	-163.02
Dipole, Da:	9.43
IP(EA), eV:	-9.07(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)[C@@H]3N(C2=O)[C@H](CS3)C(=O)O)OC

DOS

IR

Vibrations