Geometry & MOs

Info

ID:	397608
PubChem CID:	135030464
Reduced:	BrO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	274.135765
ΔH_f, kcal/mol:	-113.16
Dipole, Da:	1.99
IP(EA), eV:	-9.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl(9-tricyclo[7.2.2.02,7]trideca-2,4,6,10,12-pentaenyl)methanol

Drug info:

PubChemData

Smile

CC1(O[C@@H]2CCCC(=O)[C@@]2(O1)CC3=CC=CC=C3Br)C

DOS

IR

Vibrations