Geometry & MOs

Info

ID:	26961
PubChem CID:	806650
Reduced:	ClN2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	270.089209
ΔH_f, kcal/mol:	-10.3
Dipole, Da:	2.45
IP(EA), eV:	-8.87(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-formyl-2-methoxyphenyl) 2-phenylacetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations