Geometry & MOs

Info

ID:	248284
PubChem CID:	103080265
Reduced:	O2N5C10H17 (1)
Stoich.:	A2B5C10D17 (1)
Weight, g/mol:	267.169525
ΔH_f, kcal/mol:	22.74
Dipole, Da:	6.66
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-4-nitropyrazol-3-yl)-N-propylpiperidin-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCC2CCNC2)[N+](=O)[O-]

DOS

IR

Vibrations