Geometry & MOs

Info

ID:	282204
PubChem CID:	103918673
Reduced:	BrNOC15H16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	335.09971
ΔH_f, kcal/mol:	-10.77
Dipole, Da:	5.29
IP(EA), eV:	-8.34(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-methylaniline

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CNC2=C(C(=CC=C2)Br)C)O

DOS

IR

Vibrations