Geometry & MOs

Info

ID:	248259
PubChem CID:	103080079
Reduced:	O3N5C9H15 (1)
Stoich.:	A3B5C9D15 (1)
Weight, g/mol:	196.096026
ΔH_f, kcal/mol:	-24.4
Dipole, Da:	5.21
IP(EA), eV:	-8.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-3-enyl-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CCNC(=O)CCNC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations