Geometry & MOs

Info

ID:	331705
PubChem CID:	127249788
Reduced:	O3N6C22H24 (1)
Stoich.:	A3B6C22D24 (1)
Weight, g/mol:	445.175004
ΔH_f, kcal/mol:	-48.85
Dipole, Da:	7.47
IP(EA), eV:	-8.29(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxy-2H-chromen-3-yl)-[2-[6-(pyrimidin-2-ylamino)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C)CC(=O)N2CCOC(C2)C3=NC(=CC=C3)NC4=CC=CC=N4

DOS

IR

Vibrations