Geometry & MOs

Info

ID:	380246
PubChem CID:	134970627
Reduced:	O4C27H44 (1)
Stoich.:	A4B27C44 (1)
Weight, g/mol:	151.099714
ΔH_f, kcal/mol:	-238.64
Dipole, Da:	2.52
IP(EA), eV:	-9.76(2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-2-propylhex-2-enenitrile

Drug info:

PubChemData

Smile

C[C@H]1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)O)O)C)C)O[C@]16CCC(CO6)C

DOS

IR

Vibrations