Geometry & MOs

Info

ID:	45988
PubChem CID:	10520070
Reduced:	BNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	326.0785
ΔH_f, kcal/mol:	-162.35
Dipole, Da:	2.47
IP(EA), eV:	-8.67(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol

Drug info:

PubChemData

Smile

B1(O[C@@H](C[C@H](O1)C2=CC=CC=C2)C3=CC=CC=C3)OCCN(C)C

DOS

IR

Vibrations