Geometry & MOs

Info

ID:	352016
PubChem CID:	127282934
Reduced:	ON2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	390.274324
ΔH_f, kcal/mol:	-76.86
Dipole, Da:	2.3
IP(EA), eV:	-9.08(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC1NC(=O)N2CCN(CC2)C(=O)N(C)C

DOS

IR

Vibrations