Geometry & MOs

Info

ID:	120898
PubChem CID:	50749525
Reduced:	ClO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-46.82
Dipole, Da:	4.04
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,13,13-trimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-triene-5,7-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)N(C)CC2=CC(=O)NC3=CC=CC=C32)Cl

DOS

IR

Vibrations