Geometry & MOs

Info

ID:	183015
PubChem CID:	76968743
Reduced:	NC10H12 (4)
Stoich.:	AB10C12 (4)
Weight, g/mol:	284.198759
ΔH_f, kcal/mol:	155.65
Dipole, Da:	2.23
IP(EA), eV:	-8.54(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-propylpent-4-enoic acid;(2S)-2-propylpent-4-enoic acid

Drug info:

PubChemData

Smile

C[C@H](CN1C2=CC=CC=C2C=CC3=CC=CC=C31)CN(C)C.C[C@@H](CN1C2=CC=CC=C2C=CC3=CC=CC=C31)CN(C)C

DOS

IR

Vibrations