Geometry & MOs

Info

ID:	47773
PubChem CID:	10535195
Reduced:	O2H8C11 (1)
Stoich.:	A2B8C11 (1)
Weight, g/mol:	172.063663
ΔH_f, kcal/mol:	-3.2
Dipole, Da:	4.82
IP(EA), eV:	-8.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-pyrrol-1-ylfuran-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C2C1=CC=C2C=O)O

DOS

IR

Vibrations