Geometry & MOs

Info

ID:	332082
PubChem CID:	127250368
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	376.164774
ΔH_f, kcal/mol:	0.02
Dipole, Da:	3.98
IP(EA), eV:	-8.81(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylamino)pyridin-4-yl]-[2-(5-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations