Geometry & MOs

Info

ID:	257309
PubChem CID:	103145100
Reduced:	N2O5C14H14 (1)
Stoich.:	A2B5C14D14 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-92.23
Dipole, Da:	3.78
IP(EA), eV:	-9.29(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-4-nitro-N-(1-pyridin-3-ylethyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NCC2=CC(=CO2)C(=O)O

DOS

IR

Vibrations