Geometry & MOs

Info

ID:	310540
PubChem CID:	126581798
Reduced:	NO3C23H35 (1)
Stoich.:	AB3C23D35 (1)
Weight, g/mol:	379.264192
ΔH_f, kcal/mol:	-140.28
Dipole, Da:	8.2
IP(EA), eV:	-9.12(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3S)-1-amino-3-[(3E)-3-chloro-3-[(2Z,4S)-2-ethylidene-4-hexylcyclohexylidene]prop-1-en-2-yl]cyclopentyl]methanol

Drug info:

PubChemData

Smile

CCOCCC[C@H]1CC/C(=C/C(=C)[C@H]2CC[C@@]3(C2)COC(=O)N3)/C(=C\C)/C1

DOS

IR

Vibrations