Geometry & MOs

Info

ID:	413780
PubChem CID:	135086730
Reduced:	SiO7C27H42 (1)
Stoich.:	AB7C27D42 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-296.62
Dipole, Da:	17.69
IP(EA), eV:	-8.86(-3.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methoxyphenyl)-3-oxopropyl]pyrrole-2-carbaldehyde

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC1C([C@]23CC(C1OC2=C(C(=O)O3)C(=O)[C@H](C)C[C@H](C)COC(=O)C)C)C=C

DOS

IR

Vibrations