Geometry & MOs

Info

ID:	180534
PubChem CID:	76649634
Reduced:	O3N4C23H34 (1)
Stoich.:	A3B4C23D34 (1)
Weight, g/mol:	448.248584
ΔH_f, kcal/mol:	-127.26
Dipole, Da:	4.26
IP(EA), eV:	-8.64(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-[(2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-(methoxymethyl)-1-methyl-1,3,5-triazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1NC(=O)N(C(=O)N1C)CCCN2C3CCC2CC(C3)OCC4=CC=CC=C4C

DOS

IR

Vibrations