Geometry & MOs

Info

ID:	338142
PubChem CID:	127258834
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-80.28
Dipole, Da:	1.94
IP(EA), eV:	-9.06(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylphenyl) N-[(E)-prop-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1)OC(=O)N/C=C/C)CC

DOS

IR

Vibrations