Geometry & MOs

Info

ID:	17335
PubChem CID:	493283
Reduced:	ClN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-42.75
Dipole, Da:	1.73
IP(EA), eV:	-8.95(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[(4-chlorophenyl)methoxy]-2-imidazol-1-ylethyl]-4-methyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CN1C(=O)COC2=C1C=C(C=C2)C(CN3C=CN=C3)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations