Geometry & MOs

Info

ID:	235447
PubChem CID:	92709672
Reduced:	ON2C22H24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	10.41
Dipole, Da:	3.41
IP(EA), eV:	-8.64(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3S)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C[C@H](C2=CC=CC=C2C)N3C=CC=C3

DOS

IR

Vibrations