Geometry & MOs

Info

ID:	247527
PubChem CID:	103072098
Reduced:	N4C11H18 (1)
Stoich.:	A4B11C18 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	63.2
Dipole, Da:	4.5
IP(EA), eV:	-9.35(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-nitropyrazol-1-yl)methyl]-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC(=C)CNC2CC2

DOS

IR

Vibrations