Geometry & MOs

Info

ID:	143890
PubChem CID:	53275512
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	167.040485
ΔH_f, kcal/mol:	-1.88
Dipole, Da:	9.39
IP(EA), eV:	-9.32(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-3-thiophen-3-ylpropanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[N+]\2=NOC(=NC(=O)C)/C2=C\[O-]

DOS

IR

Vibrations