Geometry & MOs

Info

ID:	331880
PubChem CID:	127250166
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	3.29
Dipole, Da:	5.54
IP(EA), eV:	-9.48(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(2,5-dimethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations