Geometry & MOs

Info

ID:	416987
PubChem CID:	135090995
Reduced:	ClON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-5.02
Dipole, Da:	4.34
IP(EA), eV:	-8.38(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamidophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)N2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3)Cl

DOS

IR

Vibrations