Geometry & MOs

Info

ID:	40962
PubChem CID:	8145026
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	359.07535
ΔH_f, kcal/mol:	-152.28
Dipole, Da:	4.83
IP(EA), eV:	-8.94(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenacyl 2-(2,4-dinitroanilino)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C3=C(C=C(C=C3)C(C)C)C(=O)C2=O

DOS

IR

Vibrations