Geometry & MOs

Info

ID:	402759
PubChem CID:	135057150
Reduced:	NOC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	240.01498
ΔH_f, kcal/mol:	-13.26
Dipole, Da:	2.67
IP(EA), eV:	-9.78(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-bromophenyl)-2-methylbut-3-en-1-ol

Drug info:

PubChemData

Smile

CC=CCC(C1=CC=NC=C1)O

DOS

IR

Vibrations