Geometry & MOs

Info

ID:	89487
PubChem CID:	49962070
Reduced:	NOC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	266.131167
ΔH_f, kcal/mol:	-51.27
Dipole, Da:	2.78
IP(EA), eV:	-9.2(0.77)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(1S)-1-amino-2-phenylethyl]hepta-1,6-dien-4-ol;chloride

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(CC=C)(CC=C)O)N

DOS

IR

Vibrations