Geometry & MOs

Info

ID:	150417
PubChem CID:	53790107
Reduced:	PSH23C35 (1)
Stoich.:	ABC23D35 (1)
Weight, g/mol:	135.068414
ΔH_f, kcal/mol:	186.67
Dipole, Da:	0.62
IP(EA), eV:	-8.06(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-pyrrol-2-yl)but-3-enal

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2P(C4=CC=CC=C4C=S)C5=C6C=CC=CC6=CC7=CC=CC=C75

DOS

IR

Vibrations