Geometry & MOs

Info

ID:	432456
PubChem CID:	135172589
Reduced:	O4C20H23 (2)
Stoich.:	A4B20C23 (2)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	-284.55
Dipole, Da:	2.96
IP(EA), eV:	-8.67(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]-N,2-dimethylaniline

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=CC(=CC(=C4C=C3)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations