Geometry & MOs

Info

ID:	178676
PubChem CID:	76366896
Reduced:	BrON4C20H29 (1)
Stoich.:	ABC4D20E29 (1)
Weight, g/mol:	441.205242
ΔH_f, kcal/mol:	2.48
Dipole, Da:	2.3
IP(EA), eV:	-8.87(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]phenoxy]benzamide

Drug info:

PubChemData

Smile

CC(C)C1C(C(NN1)C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)Br

DOS

IR

Vibrations