Geometry & MOs

Info

ID:	305544
PubChem CID:	124959263
Reduced:	ON6C19H28 (1)
Stoich.:	AB6C19D28 (1)
Weight, g/mol:	446.220557
ΔH_f, kcal/mol:	5.99
Dipole, Da:	3.58
IP(EA), eV:	-8.79(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethoxyphenyl)-[(3S)-3-[4-(4-methoxyphenyl)-6-methylpyridin-2-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CCC(=O)NCC2=CN=C(N=C2[C@@H]3CCCN3C)C

DOS

IR

Vibrations