Geometry & MOs

Info

ID:	257272
PubChem CID:	103144818
Reduced:	N2O5C12H12 (1)
Stoich.:	A2B5C12D12 (1)
Weight, g/mol:	292.105922
ΔH_f, kcal/mol:	-105.36
Dipole, Da:	3.48
IP(EA), eV:	-9.74(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,5-dimethyl-4-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations