Geometry & MOs

Info

ID:	365464
PubChem CID:	127317883
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	386.27941
ΔH_f, kcal/mol:	16.09
Dipole, Da:	5.83
IP(EA), eV:	-8.73(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)C#N

DOS

IR

Vibrations