Geometry & MOs

Info

ID:	359538
PubChem CID:	127298812
Reduced:	O2N4C21H38 (1)
Stoich.:	A2B4C21D38 (1)
Weight, g/mol:	393.310376
ΔH_f, kcal/mol:	-128.59
Dipole, Da:	3.06
IP(EA), eV:	-8.35(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2CCCN(C2)C(C)C(=O)N3CCCC(C3)C(=O)N

DOS

IR

Vibrations