Geometry & MOs

Info

ID:	48065
PubChem CID:	10536908
Reduced:	SN4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	81.12
Dipole, Da:	3.24
IP(EA), eV:	-8.75(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-5-phenylmethoxypentanal

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NNC(=S)N2N

DOS

IR

Vibrations