Geometry & MOs

Info

ID:	207833
PubChem CID:	80458068
Reduced:	N3O4C12H15 (1)
Stoich.:	A3B4C12D15 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-80.0
Dipole, Da:	4.23
IP(EA), eV:	-9.01(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methoxy-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[N+](=O)[O-])NC2CCCNC2=O

DOS

IR

Vibrations