Geometry & MOs

Info

ID:	349480
PubChem CID:	127275267
Reduced:	ClO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	389.187005
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	6.18
IP(EA), eV:	-9.36(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC(=O)CN2CCC(CC2)C3C4=C(C=C(C=C4)Cl)NC3=O

DOS

IR

Vibrations