Geometry & MOs

Info

ID:	331781
PubChem CID:	127250065
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	422.150954
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	4.92
IP(EA), eV:	-8.65(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(2-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=CC=CC(=N3)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations