Geometry & MOs

Info

ID:	406130
PubChem CID:	135076605
Reduced:	BrN2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	402.165408
ΔH_f, kcal/mol:	59.93
Dipole, Da:	6.45
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-[4-(trifluoromethyl)phenyl]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1C/C(=C\C#N)/N(C1)C2=CC=CC=C2Br

DOS

IR

Vibrations