Geometry & MOs

Info

ID:	364597
PubChem CID:	127315849
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-125.42
Dipole, Da:	4.46
IP(EA), eV:	-9.32(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(=O)N(C2=O)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations