Geometry & MOs

Info

ID:	340958
PubChem CID:	127263393
Reduced:	ClNO2C7H14 (1)
Stoich.:	ABC2D7E14 (1)
Weight, g/mol:	337.027249
ΔH_f, kcal/mol:	-136.7
Dipole, Da:	6.07
IP(EA), eV:	-10.18(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)N1CCCC1.Cl

DOS

IR

Vibrations