Geometry & MOs

Info

ID:	85518
PubChem CID:	49876309
Reduced:	ClO2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	354.113993
ΔH_f, kcal/mol:	67.1
Dipole, Da:	3.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750023
Charge, e:	-1

Chem-info

IUPAC name:

2-(6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazin-3-yl)-N,N-diethylethanamine;chloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4.[Cl-]

DOS

IR

Vibrations