Geometry & MOs

Info

ID:	257271
PubChem CID:	103144815
Reduced:	N2O5C14H18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	264.074621
ΔH_f, kcal/mol:	-148.49
Dipole, Da:	8.87
IP(EA), eV:	-9.66(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations