Geometry & MOs

Info

ID:	203100
PubChem CID:	79778884
Reduced:	O3N4C12H14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	15.19
Dipole, Da:	10.59
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(2-nitrophenyl)ethyl]pyrazol-3-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)NC2=NN(C=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations