Geometry & MOs

Info

ID:	185715
PubChem CID:	77336556
Reduced:	OC22H30 (1)
Stoich.:	AB22C30 (1)
Weight, g/mol:	408.253669
ΔH_f, kcal/mol:	-49.14
Dipole, Da:	2.26
IP(EA), eV:	-8.43(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[2-(dimethylamino)ethyl-[2-(4-fluorophenoxy)ethyl]amino]propyl]-1,3-dimethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC=C1CC(C2C1(CCC3C2CCC4=C3C=CC(=C4)OC)C)C

DOS

IR

Vibrations