Geometry & MOs

Info

ID:	200749
PubChem CID:	79437258
Reduced:	BrNSC17H22 (1)
Stoich.:	ABCD17E22 (1)
Weight, g/mol:	348.08373
ΔH_f, kcal/mol:	32.04
Dipole, Da:	2.79
IP(EA), eV:	-8.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC2=CC=C(S2)Br)CNC(C)C

DOS

IR

Vibrations