Geometry & MOs

Info

ID:	21090
PubChem CID:	587160
Reduced:	ClNO3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	289.050571
ΔH_f, kcal/mol:	-86.99
Dipole, Da:	2.8
IP(EA), eV:	-9.39(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations