Geometry & MOs

Info

ID:	339193
PubChem CID:	127260572
Reduced:	NO2C49H91 (1)
Stoich.:	AB2C49D91 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-225.54
Dipole, Da:	3.78
IP(EA), eV:	-8.77(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-7-benzamido-1,7-dihydroxyhept-5-enyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=C/C(=C/NO)/C(=O)C=C1

DOS

IR

Vibrations