Geometry & MOs

Info

ID:	157961
PubChem CID:	56459350
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-97.49
Dipole, Da:	5.85
IP(EA), eV:	-8.5(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]pyrrol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC=CC(=C2)CN3CCOCC3

DOS

IR

Vibrations