Geometry & MOs

Info

ID:	81554
PubChem CID:	49854858
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	390.109483
ΔH_f, kcal/mol:	-74.06
Dipole, Da:	6.8
IP(EA), eV:	-8.38(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(8-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC2=C(C(=CC=C2)NC(=O)CC3=NC(=O)C=C(N3)N4CCOCC4)NC1

DOS

IR

Vibrations