Geometry & MOs

Info

ID:	21129
PubChem CID:	587306
Reduced:	ClNO3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	373.144471
ΔH_f, kcal/mol:	-119.57
Dipole, Da:	2.71
IP(EA), eV:	-9.36(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptyl 4-[(4-chlorobenzoyl)amino]benzoate

Drug info:

PubChemData

Smile

CCCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations