Geometry & MOs

Info

ID:	30074
PubChem CID:	839465
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	335.011599
ΔH_f, kcal/mol:	-118.57
Dipole, Da:	2.98
IP(EA), eV:	-9.03(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(3-chloro-4-ethoxyphenyl)-3,1-benzoxazin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(=O)C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4

DOS

IR

Vibrations