Geometry & MOs

Info

ID:	10105
PubChem CID:	97444
Reduced:	NO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	179.058243
ΔH_f, kcal/mol:	-106.91
Dipole, Da:	4.13
IP(EA), eV:	-9.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-carbamoylphenyl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)C(=O)N

DOS

IR

Vibrations