Geometry & MOs

Info

ID:	318386
PubChem CID:	126651043
Reduced:	ClON3H18C20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	442.236876
ΔH_f, kcal/mol:	43.48
Dipole, Da:	8.92
IP(EA), eV:	-9.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CC(=N1)C2=CC(=CC=C2)C3=C(C=C(C(=C3)C#N)Cl)O

DOS

IR

Vibrations