Geometry & MOs

Info

ID:	368871
PubChem CID:	127330841
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	10.66
IP(EA), eV:	-8.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclopentylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)C3=C(C4=C(CC(O4)(C)C)C=C3)O

DOS

IR

Vibrations