Geometry & MOs

Info

ID:	447146
PubChem CID:	135280685
Reduced:	ClON6C31H35 (1)
Stoich.:	ABC6D31E35 (1)
Weight, g/mol:	213.115364
ΔH_f, kcal/mol:	58.01
Dipole, Da:	4.78
IP(EA), eV:	-8.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1O)C2CCN(CC2)CC3=CC(=CC(=C3)NC4=NC=C(C(=N4)C5=CNC6=CC=CC=C65)Cl)C7CC7

DOS

IR

Vibrations