Geometry & MOs

Info

ID:	411993
PubChem CID:	135084856
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	1015.29242
ΔH_f, kcal/mol:	-86.18
Dipole, Da:	7.55
IP(EA), eV:	-8.49(0.2)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)([C@H]1CC/C(=C(\C#N)/C2=N[C@H](CC2)C(C)(C)O)/N1)O

DOS

IR

Vibrations