Geometry & MOs

Info

ID:	145309
PubChem CID:	53496395
Reduced:	NC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	116.44
Dipole, Da:	0.21
IP(EA), eV:	-8.84(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-trimethoxy-2-(3-methylbut-2-enyl)phenyl] acetate

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC2=C1C(=C(C=C2)C#N)N(C)C)C#N

DOS

IR

Vibrations