Geometry & MOs

Info

ID:	158008
PubChem CID:	56459398
Reduced:	N3O3C28H35 (1)
Stoich.:	A3B3C28D35 (1)
Weight, g/mol:	420.273656
ΔH_f, kcal/mol:	-113.49
Dipole, Da:	7.37
IP(EA), eV:	-8.89(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]pyrrol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)C(=O)N4CCCCCC4

DOS

IR

Vibrations