Geometry & MOs

Info

ID:	312014
PubChem CID:	126600947
Reduced:	NCl2O4H8C13 (2)
Stoich.:	AB2C4D8E13 (2)
Weight, g/mol:	190.110613
ΔH_f, kcal/mol:	-242.02
Dipole, Da:	10.2
IP(EA), eV:	-9.59(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-5-phenyl-5,6-dihydro-1,2,4-oxadiazine

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1Cl)Cl)C2=C(N(C(=C2Cl)Cl)C)C(=O)C3=C(C=C(C=C3)C(=O)O)O)C(=O)C4=C(C=C(C=C4)C(=O)O)O

DOS

IR

Vibrations