Geometry & MOs

Info

ID:	181996
PubChem CID:	76824571
Reduced:	O2F3N4C24H29 (1)
Stoich.:	A2B3C4D24E29 (1)
Weight, g/mol:	472.212885
ΔH_f, kcal/mol:	-181.63
Dipole, Da:	5.36
IP(EA), eV:	-8.68(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[2-(4-chloro-3-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]-2,3-dimethylphenoxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)OCCN)C(C)N2CC3CC2CN3C(=O)C4=CN=C(C=C4)C(F)(F)F

DOS

IR

Vibrations