Geometry & MOs

Info

ID:	319995
PubChem CID:	126657774
Reduced:	ClNC7H10 (1)
Stoich.:	ABC7D10 (1)
Weight, g/mol:	457.39198
ΔH_f, kcal/mol:	30.94
Dipole, Da:	2.46
IP(EA), eV:	-8.68(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-[(3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-(3-aminopropoxy)-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol

Drug info:

PubChemData

Smile

CN/C(=C\C=C/C=C)/Cl

DOS

IR

Vibrations