Geometry & MOs

Info

ID:	372024
PubChem CID:	131287375
Reduced:	N3C9H17 (1)
Stoich.:	A3B9C17 (1)
Weight, g/mol:	218.040151
ΔH_f, kcal/mol:	12.99
Dipole, Da:	4.87
IP(EA), eV:	-9.1(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxyphenyl)thiophene-3-carbaldehyde

Drug info:

PubChemData

Smile

CN1CCCC1CC(CN)C#N

DOS

IR

Vibrations