Geometry & MOs

Info

ID:	257290
PubChem CID:	103144948
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-23.75
Dipole, Da:	9.21
IP(EA), eV:	-8.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1C(CCCS1)NC2=C(C=C(C(=C2)C)[N+](=O)[O-])C

DOS

IR

Vibrations