Geometry & MOs

Info

ID:	341719
PubChem CID:	127264412
Reduced:	BBrO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	402.313395
ΔH_f, kcal/mol:	-187.25
Dipole, Da:	6.11
IP(EA), eV:	-9.81(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadecyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)CBr

DOS

IR

Vibrations