Geometry & MOs

Info

ID:	142101
PubChem CID:	52980460
Reduced:	ClNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	295.120843
ΔH_f, kcal/mol:	-45.08
Dipole, Da:	7.24
IP(EA), eV:	-8.33(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methoxyphenyl)methylamino]-4-phenylcyclobutane-1,2-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(C(=O)C2=O)NC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations