Geometry & MOs

Info

ID:	184699
PubChem CID:	77194776
Reduced:	NCl2F2O2C18H21 (1)
Stoich.:	AB2C2D2E18F21 (1)
Weight, g/mol:	420.335193
ΔH_f, kcal/mol:	-224.75
Dipole, Da:	2.82
IP(EA), eV:	-9.67(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4-[1-methylidene-4-[(2-morpholin-4-ylpropylamino)methyl]-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl]cyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2CC(CC2(C1)C3=CC(=C(C=C3)Cl)Cl)(F)F

DOS

IR

Vibrations