Geometry & MOs

Info

ID:	374462
PubChem CID:	131329796
Reduced:	NO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	173.084064
ΔH_f, kcal/mol:	-147.8
Dipole, Da:	2.66
IP(EA), eV:	-9.12(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(2-hydroxyphenyl)methylidene]butanenitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1OCC[C@@]2(CO)N)O

DOS

IR

Vibrations