Geometry & MOs

Info

ID:	30509
PubChem CID:	841432
Reduced:	SN5C10H11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	110.0
Dipole, Da:	11.1
IP(EA), eV:	-9.19(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-cyano-2-methoxyphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NN2C=NN=C2

DOS

IR

Vibrations