Geometry & MOs

Info

ID:	248232
PubChem CID:	103079843
Reduced:	O3N5C9H11 (1)
Stoich.:	A3B5C9D11 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	48.72
Dipole, Da:	8.97
IP(EA), eV:	-8.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-nitro-N-(3-phenoxypropyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CNC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations