Geometry & MOs

Info

ID:	280940
PubChem CID:	103852050
Reduced:	NH5C6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	293.05276
ΔH_f, kcal/mol:	100.49
Dipole, Da:	4.42
IP(EA), eV:	-8.3(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)NCC3=CC=CC=C3C#N)C=CC=N2

DOS

IR

Vibrations