Geometry & MOs

Info

ID:	394355
PubChem CID:	135022807
Reduced:	N4H14C17 (1)
Stoich.:	A4B14C17 (1)
Weight, g/mol:	284.104859
ΔH_f, kcal/mol:	113.41
Dipole, Da:	3.87
IP(EA), eV:	-8.72(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-propanoylphenyl) 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC=CC=C2C3=CN4C=CC=CC4=N3

DOS

IR

Vibrations