Geometry & MOs

Info

ID:	351948
PubChem CID:	127282866
Reduced:	ClN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-106.55
Dipole, Da:	4.15
IP(EA), eV:	-9.36(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-pyridin-3-ylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)NC(=O)N3CCOC(C3)C4=CC=CC=C4Cl

DOS

IR

Vibrations