Geometry & MOs

Info

ID:	44661
PubChem CID:	10505172
Reduced:	Cl2N4O4H22C23 (1)
Stoich.:	A2B4C4D22E23 (1)
Weight, g/mol:	488.11396
ΔH_f, kcal/mol:	-128.0
Dipole, Da:	8.56
IP(EA), eV:	-8.68(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[2-[4-[4-(2-phenylcyclobuten-1-yl)phenyl]phenyl]cyclobuten-1-yl]benzene

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2Cl)Cl)/C=C/C(=O)NC3=CC=C(C=C3)CCNC(=O)N

DOS

IR

Vibrations