Geometry & MOs

Info

ID:	331712
PubChem CID:	127249795
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	390.180424
ΔH_f, kcal/mol:	-80.72
Dipole, Da:	3.87
IP(EA), eV:	-8.45(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylamino)pyridin-4-yl]-[2-[6-(pyridin-2-ylamino)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(=O)N2CCOC(C2)C3=NC(=CC=C3)NC4=CC=CC(=N4)C)OC

DOS

IR

Vibrations