Geometry & MOs

Info

ID:	158056
PubChem CID:	56459446
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-48.22
Dipole, Da:	6.64
IP(EA), eV:	-8.35(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(3-phenylpropylcarbamoyl)pyrrol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations