Geometry & MOs

Info

ID:	32753
PubChem CID:	7847984
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	-146.93
Dipole, Da:	3.86
IP(EA), eV:	-8.76(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4-dimethyl-5-[2-(4-methylpentanoyloxy)acetyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCC(=O)O[C@H](C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)OC

DOS

IR

Vibrations