Geometry & MOs

Info

ID:	305961
PubChem CID:	124976121
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	3.1
Dipole, Da:	3.56
IP(EA), eV:	-8.44(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2S)-2-[5-(pyrimidin-2-ylamino)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1COC[C@@H](CN1C(=O)C2=NC=CN=C2)CC3=CC4=C(C=C3)NC=C4

DOS

IR

Vibrations