Geometry & MOs

Info

ID:	392372
PubChem CID:	135014804
Reduced:	NOH17C20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	25.45
Dipole, Da:	1.52
IP(EA), eV:	-8.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-6-phenylmethoxyhex-2-enal

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H](C3=CC=CC=C31)NC(O2)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations