Geometry & MOs

Info

ID:	234547
PubChem CID:	92298662
Reduced:	O4H20C23 (1)
Stoich.:	A4B20C23 (1)
Weight, g/mol:	290.082205
ΔH_f, kcal/mol:	-100.96
Dipole, Da:	6.92
IP(EA), eV:	-9.28(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(3R)-3-chloroazepan-2-ylidene]-2-phenyl-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations