Geometry & MOs

Info

ID:	73599
PubChem CID:	48418545
Reduced:	ClO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	12.5
Dipole, Da:	6.34
IP(EA), eV:	-9.33(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2,3-dihydroindol-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1CCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N)Cl

DOS

IR

Vibrations