Geometry & MOs

Info

ID:	163380
PubChem CID:	57900959
Reduced:	ON2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	506.282095
ΔH_f, kcal/mol:	-19.93
Dipole, Da:	2.14
IP(EA), eV:	-8.54(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(3,4-dimethylphenyl)propan-2-yl]phenyl] [2-methyl-4-[2-(3-methylphenyl)propan-2-yl]phenyl] carbonate

Drug info:

PubChemData

Smile

C1CC2=C(C1NC(=O)NCC3=CC=CC=C3)C=CC(=C2)C(=O)NC4=CC=CC=C4N

DOS

IR

Vibrations