Geometry & MOs

Info

ID:	332017
PubChem CID:	127250303
Reduced:	ClO2N4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	350.149124
ΔH_f, kcal/mol:	8.6
Dipole, Da:	4.66
IP(EA), eV:	-9.44(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methylpyrazin-2-yl)-[2-[5-(1H-pyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations