Geometry & MOs

Info

ID:	124436
PubChem CID:	50883246
Reduced:	NOH17C21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	223.099714
ΔH_f, kcal/mol:	48.66
Dipole, Da:	1.03
IP(EA), eV:	-9.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC3=CC=CC(=C3O2)CC4=CC=CC=C4

DOS

IR

Vibrations