Geometry & MOs

Info

ID:	31931
PubChem CID:	3723874
Reduced:	N2O2C27H28 (1)
Stoich.:	A2B2C27D28 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-38.56
Dipole, Da:	5.39
IP(EA), eV:	-8.0(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-methyl-4-phenylpyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=C(C=CC5=CC=CC=C54)O)C(=O)CC(C3)(C)C

DOS

IR

Vibrations