Geometry & MOs

Info

ID:	37340
PubChem CID:	8019885
Reduced:	NO6C15H17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	341.126323
ΔH_f, kcal/mol:	-166.84
Dipole, Da:	4.66
IP(EA), eV:	-9.89(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl) 3-(3,4,5-trimethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)OCC2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

DOS

IR

Vibrations