Geometry & MOs

Info

ID:	248225
PubChem CID:	103079808
Reduced:	N4O4C9H14 (1)
Stoich.:	A4B4C9D14 (1)
Weight, g/mol:	264.102254
ΔH_f, kcal/mol:	-66.22
Dipole, Da:	7.88
IP(EA), eV:	-9.21(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)ethyl]-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CCOC(=O)C(C)NC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations