Geometry & MOs

Info

ID:	5134
PubChem CID:	12643
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-87.79
Dipole, Da:	2.73
IP(EA), eV:	-9.1(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-pentan-3-ylphenyl) N-methylcarbamate

Drug info:

PubChemData

Smile

CCC(CC)C1=CC(=CC=C1)OC(=O)NC

DOS

IR

Vibrations