Geometry & MOs

Info

ID:	27945
PubChem CID:	824240
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	290.105528
ΔH_f, kcal/mol:	-103.63
Dipole, Da:	4.52
IP(EA), eV:	-8.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]propanedinitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=S)N[C@@H]1C2=CC=CC=C2O)C

DOS

IR

Vibrations