Geometry & MOs

Info

ID:	229239
PubChem CID:	87567239
Reduced:	O2F6N6C23H26 (1)
Stoich.:	A2B6C6D23E26 (1)
Weight, g/mol:	313.20732
ΔH_f, kcal/mol:	-304.36
Dipole, Da:	4.08
IP(EA), eV:	-8.6(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclohexyl]carbamic acid

Drug info:

PubChemData

Smile

CC1CCC(N1C2=CC=CC(=C2C3=NC4=C(C=C3)C(N(C(N4OC(=O)C(F)(F)F)N)C)N)C(F)(F)F)C

DOS

IR

Vibrations