Geometry & MOs

Info

ID:	45990
PubChem CID:	10520088
Reduced:	NO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	325.11365
ΔH_f, kcal/mol:	-123.59
Dipole, Da:	3.76
IP(EA), eV:	-9.25(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(Z)-3-methoxy-2-(4-methoxyphenyl)prop-1-enyl]sulfanylmethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1(O[C@H]2C=CC=C([C@H]2O1)CCN3C(=O)C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations