Geometry & MOs

Info

ID:	60154
PubChem CID:	26675795
Reduced:	ClNO3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	267.089543
ΔH_f, kcal/mol:	-37.9
Dipole, Da:	3.86
IP(EA), eV:	-9.31(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2-cyanophenyl)methoxy]benzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)OCC2=NC=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations