Geometry & MOs

Info

ID:	127361
PubChem CID:	50999962
Reduced:	N4O5H10C11 (1)
Stoich.:	A4B5C10D11 (1)
Weight, g/mol:	181.157898
ΔH_f, kcal/mol:	28.56
Dipole, Da:	3.2
IP(EA), eV:	-10.07(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexan-3-yl-5-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCCN2C=CC(=N2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations