Geometry & MOs

Info

ID:	397647
PubChem CID:	135030522
Reduced:	BrO6C24H33 (1)
Stoich.:	AB6C24D33 (1)
Weight, g/mol:	265.121512
ΔH_f, kcal/mol:	-228.39
Dipole, Da:	0.97
IP(EA), eV:	-9.65(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-(2-pyrazol-1-ylphenyl)aniline

Drug info:

PubChemData

Smile

CCOC(=O)C(CC#C[C@H]1[C@]2(CCCC=C2Br)OC(O1)(C)C)(CC(=C)C)C(=O)OCC

DOS

IR

Vibrations