Geometry & MOs

Info

ID:	338121
PubChem CID:	127258813
Reduced:	NCl2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	3.01
IP(EA), eV:	-9.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl) N-[(E)-prop-1-enyl]carbamate

Drug info:

PubChemData

Smile

C/C=C/NC(=O)OC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations