Geometry & MOs

Info

ID:	37282
PubChem CID:	8019114
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	403.199488
ΔH_f, kcal/mol:	-59.35
Dipole, Da:	4.58
IP(EA), eV:	-8.49(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C(=O)NCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations