Geometry & MOs

Info

ID:	347942
PubChem CID:	127273004
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	15.9
Dipole, Da:	6.77
IP(EA), eV:	-8.29(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)propyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C3=C(CCC3)C(=N2)C(=O)NCC(C)N4CCN(CC4)C

DOS

IR

Vibrations