Geometry & MOs

Info

ID:	310770
PubChem CID:	126587349
Reduced:	O2N3C15H16 (2)
Stoich.:	A2B3C15D16 (2)
Weight, g/mol:	333.303165
ΔH_f, kcal/mol:	-46.54
Dipole, Da:	7.87
IP(EA), eV:	-8.15(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-ditert-butyl-3-[(1R,2R,5S)-2,4,4,5-tetramethylcyclohexyl]oxybut-3-enenitrile

Drug info:

PubChemData

Smile

C[C@](CCO)(C=C)C(=O)CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)NC)C4=CC=CC=N4

DOS

IR

Vibrations