Geometry & MOs

Info

ID:	200751
PubChem CID:	79438050
Reduced:	BrOSC15H17 (1)
Stoich.:	ABCD15E17 (1)
Weight, g/mol:	335.09971
ΔH_f, kcal/mol:	-18.49
Dipole, Da:	4.01
IP(EA), eV:	-9.3(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CC(CO)C2=CC=C(C=C2)Br

DOS

IR

Vibrations