Geometry & MOs

Info

ID:	257316
PubChem CID:	103145140
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	23.41
Dipole, Da:	9.39
IP(EA), eV:	-9.14(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-4-nitro-N-[(2-propylpyrazol-3-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)CNC2=C(C=C(C(=C2)C)[N+](=O)[O-])C

DOS

IR

Vibrations