Geometry & MOs

Info

ID:	298403
PubChem CID:	117649188
Reduced:	N3O4C29H37 (1)
Stoich.:	A3B4C29D37 (1)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-114.44
Dipole, Da:	7.74
IP(EA), eV:	-8.58(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-1-(4-methoxyphenyl)-4-methyl-3-phenylmethoxypyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=C(N1C2=CC=C(C=C2)OC)C(=O)N(CC)CC)OCC3=CC=CC=C3)C

DOS

IR

Vibrations