Geometry & MOs

Info

ID:	413483
PubChem CID:	135086432
Reduced:	N2C15H26 (1)
Stoich.:	A2B15C26 (1)
Weight, g/mol:	286.052735
ΔH_f, kcal/mol:	-12.48
Dipole, Da:	1.44
IP(EA), eV:	-7.89(1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-chloro-1-[2-[(1S,2R)-2-chloro-1-hydroxybut-3-enyl]phenyl]but-3-en-1-ol

Drug info:

PubChemData

Smile

C1CCN(CC1)[C@H]2CCC=C2N3CCCCC3

DOS

IR

Vibrations