Geometry & MOs

Info

ID:	55844
PubChem CID:	17396653
Reduced:	FN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-128.49
Dipole, Da:	6.52
IP(EA), eV:	-8.77(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations