Geometry & MOs

Info

ID:	405267
PubChem CID:	135073316
Reduced:	N2O2F3H12C13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-145.51
Dipole, Da:	5.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.800841
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(2-methylprop-2-enyl)-N-(3-phenylprop-2-ynyl)carbamate

Drug info:

PubChemData

Smile

CC(=C)CO/C(=C(/C1=CC(=CC=C1)C(F)(F)F)\[N+]#N)/O

DOS

IR

Vibrations