Geometry & MOs

Info

ID:	34520
PubChem CID:	7978618
Reduced:	ClN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	394.192629
ΔH_f, kcal/mol:	-119.31
Dipole, Da:	6.9
IP(EA), eV:	-9.68(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)Cl

DOS

IR

Vibrations