Geometry & MOs

Info

ID:	55546
PubChem CID:	17395524
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	331.141973
ΔH_f, kcal/mol:	-83.54
Dipole, Da:	7.76
IP(EA), eV:	-8.35(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-(2-methoxy-4-methylphenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)N3CCCCCC3=N2

DOS

IR

Vibrations