Geometry & MOs

Info

ID:	257304
PubChem CID:	103145078
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-65.46
Dipole, Da:	5.41
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NCC2=C(C=C(C=C2)O)O

DOS

IR

Vibrations