Geometry & MOs

Info

ID:	404880
PubChem CID:	135071557
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	402.183109
ΔH_f, kcal/mol:	-30.84
Dipole, Da:	4.39
IP(EA), eV:	-8.7(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(S)-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-phenylmethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=CC=C1CC(=C)C

DOS

IR

Vibrations