Geometry & MOs

Info

ID:	405197
PubChem CID:	135072935
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	-56.35
Dipole, Da:	3.54
IP(EA), eV:	-8.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyl-4-ethoxycarbonyl-5-methylpyrrol-2-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)C=C=CC1=C(N=CC=C1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations