Geometry & MOs

Info

ID:	338147
PubChem CID:	127258839
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	237.08235
ΔH_f, kcal/mol:	-93.36
Dipole, Da:	3.82
IP(EA), eV:	-8.99(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-4-methylsulfanylphenyl) N-[(E)-prop-1-enyl]carbamate

Drug info:

PubChemData

Smile

C/C=C/NC(=O)OC1=CC=CC(=C1)OC

DOS

IR

Vibrations