Geometry & MOs

Info

ID:	194801
PubChem CID:	78591211
Reduced:	N2O5C24H26 (1)
Stoich.:	A2B5C24D26 (1)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	-169.78
Dipole, Da:	6.33
IP(EA), eV:	-9.47(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-cyano-3-(3-hydroxyphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)COC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations