Geometry & MOs

Info

ID:	386472
PubChem CID:	134981862
Reduced:	O7C19H23 (2)
Stoich.:	A7B19C23 (2)
Weight, g/mol:	93.057849
ΔH_f, kcal/mol:	-509.59
Dipole, Da:	15.22
IP(EA), eV:	-9.49(-3.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-methylpenta-2,4-dienenitrile

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=CC=C1)/C=C/CCC(=O)O[C@@H]2[C@H]([C@]3(O[C@@H]([C@]([C@@]2(O3)C(=O)O)(C(=O)O)O)C(=O)O)CCC[C@H]([C@H](C)CC4=CC=CC=C4)OC(=O)C)O

DOS

IR

Vibrations