Geometry & MOs

Info

ID:	432408
PubChem CID:	135172541
Reduced:	O8C39H54 (1)
Stoich.:	A8B39C54 (1)
Weight, g/mol:	359.059217
ΔH_f, kcal/mol:	-336.54
Dipole, Da:	1.64
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[2-chloro-3-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazol-2-yl)phenyl]-N-methylaniline

Drug info:

PubChemData

Smile

CCCCCC1CCC2CC(CCC2C1)C3=CC=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(=C)CO)OCCOC(C(=C)CO)O

DOS

IR

Vibrations