Geometry & MOs

Info

ID:	228891
PubChem CID:	87566123
Reduced:	O3C20H24 (1)
Stoich.:	A3B20C24 (1)
Weight, g/mol:	312.172545
ΔH_f, kcal/mol:	-91.43
Dipole, Da:	3.71
IP(EA), eV:	-8.95(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-5-hydroxy-6-(4-methoxyphenyl)hexanal

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=CC=C1)[C@H](C(CC2=CC=C(C=C2)OC)C=O)O

DOS

IR

Vibrations