Geometry & MOs

Info

ID:	305830
PubChem CID:	124971159
Reduced:	SN6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	106.64
Dipole, Da:	3.22
IP(EA), eV:	-8.51(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-2-pyridin-2-ylethanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=NC=CN=C2[C@H]3CCCN(C3)CC4=CN=CS4

DOS

IR

Vibrations