Geometry & MOs

Info

ID:	205443
PubChem CID:	80102500
Reduced:	OCl2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	240.089878
ΔH_f, kcal/mol:	-65.82
Dipole, Da:	1.82
IP(EA), eV:	-8.95(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-[(3-hydroxyphenyl)methoxy]benzonitrile

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)O)(CCl)CCl

DOS

IR

Vibrations