Geometry & MOs

Info

ID:	79674
PubChem CID:	49829932
Reduced:	O4N5H19C21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	418.213067
ΔH_f, kcal/mol:	-9.11
Dipole, Da:	15.16
IP(EA), eV:	-9.46(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-[[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C(=O)NCC(=O)NNC=C3C=NN=C3C4=CC=CC=C4

DOS

IR

Vibrations