Geometry & MOs

Info

ID:	186327
PubChem CID:	77421227
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	466.235539
ΔH_f, kcal/mol:	-61.71
Dipole, Da:	3.34
IP(EA), eV:	-9.15(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(4-phenylphenyl)methyl]-4-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)butanoate

Drug info:

PubChemData

Smile

CC1(CC(NC1=O)CC2=CC=C(C=C2)C3=CC=CC=C3)CO

DOS

IR

Vibrations