Geometry & MOs

Info

ID:	349476
PubChem CID:	127275263
Reduced:	ClO2N3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	381.124405
ΔH_f, kcal/mol:	-96.6
Dipole, Da:	2.54
IP(EA), eV:	-9.06(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-6-chloro-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)CN2CCC(CC2)C3C4=C(C=C(C=C4)Cl)NC3=O

DOS

IR

Vibrations