Geometry & MOs

Info

ID:	132105
PubChem CID:	51306448
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	335.184506
ΔH_f, kcal/mol:	-180.02
Dipole, Da:	4.8
IP(EA), eV:	-8.87(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(4-acetyl-1-methylpyrrole-2-carbonyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations