Geometry & MOs

Info

ID:	257287
PubChem CID:	103144930
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	28.4
Dipole, Da:	4.2
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NCC2=NC=CN2

DOS

IR

Vibrations