Geometry & MOs

Info

ID:	131837
PubChem CID:	51267621
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	391.08954
ΔH_f, kcal/mol:	-60.21
Dipole, Da:	6.86
IP(EA), eV:	-9.34(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-3-(2-bromophenyl)prop-2-enoyl]piperazin-1-yl]-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN(C)C(=O)C2=CC3=C(CCCC3)C=C2

DOS

IR

Vibrations