Geometry & MOs

Info

ID:	367606
PubChem CID:	127325095
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-14.8
Dipole, Da:	6.19
IP(EA), eV:	-9.15(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN(N=C2)C)C(=O)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations