Geometry & MOs

Info

ID:	309376
PubChem CID:	126545806
Reduced:	SN4O7C26H34 (1)
Stoich.:	AB4C7D26E34 (1)
Weight, g/mol:	361.370851
ΔH_f, kcal/mol:	-236.87
Dipole, Da:	4.19
IP(EA), eV:	-8.75(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclohexylpropyl)-3-heptan-4-yl-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

Drug info:

PubChemData

Smile

CC(=O)OC(=O)CCOC(=O)C1=CC=C(C=C1)CN(C2=CC=CC=C2)S(=O)(=O)N(C)CCN3CCNCC3

DOS

IR

Vibrations