Geometry & MOs

Info

ID:	331948
PubChem CID:	127250234
Reduced:	ClO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	422.150954
ΔH_f, kcal/mol:	-4.67
Dipole, Da:	5.96
IP(EA), eV:	-8.93(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(3-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-[2-(methylamino)pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations