Geometry & MOs

Info

ID:	132059
PubChem CID:	51300854
Reduced:	SN4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	378.182254
ΔH_f, kcal/mol:	107.22
Dipole, Da:	5.65
IP(EA), eV:	-8.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=NC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations