Geometry & MOs

Info

ID:	69020
PubChem CID:	46515659
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	365.24269
ΔH_f, kcal/mol:	-101.46
Dipole, Da:	5.05
IP(EA), eV:	-8.51(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopentylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCCN(C3)C(=O)C4=CC=CO4

DOS

IR

Vibrations