Geometry & MOs

Info

ID:	169234
PubChem CID:	75077049
Reduced:	ClN2O4C15H15 (1)
Stoich.:	AB2C4D15E15 (1)
Weight, g/mol:	427.199488
ΔH_f, kcal/mol:	-150.85
Dipole, Da:	6.43
IP(EA), eV:	-9.41(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[1-[3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrol-3-yl]but-2-enoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)O

DOS

IR

Vibrations