Geometry & MOs

Info

ID:	19145
PubChem CID:	555456
Reduced:	O2N3C11H11 (1)
Stoich.:	A2B3C11D11 (1)
Weight, g/mol:	217.085127
ΔH_f, kcal/mol:	66.0
Dipole, Da:	7.48
IP(EA), eV:	-8.7(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-nitroethenyl)-2-phenyl-3,4-dihydropyrazole

Drug info:

PubChemData

Smile

C1CN(N=C1C=C[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations