Geometry & MOs

Info

ID:	273840
PubChem CID:	103805325
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-136.09
Dipole, Da:	6.13
IP(EA), eV:	-9.15(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-3-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN1C)(C(=O)O)N(C2CC2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations