Geometry & MOs

Info

ID:	353599
PubChem CID:	127285176
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-36.82
Dipole, Da:	7.16
IP(EA), eV:	-9.4(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCC(CC3)N4CCCC4=O)C

DOS

IR

Vibrations