Geometry & MOs

Info

ID:	424388
PubChem CID:	135122509
Reduced:	SO5C10H20 (1)
Stoich.:	AB5C10D20 (1)
Weight, g/mol:	412.236208
ΔH_f, kcal/mol:	-244.38
Dipole, Da:	3.75
IP(EA), eV:	-10.16(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-[(4-formyloxan-4-yl)methyl]-5-(2-methyl-3-phenylmethoxypropyl)pyrazole-3-carbaldehyde

Drug info:

PubChemData

Smile

CC(COC1CCCCO1)COS(=O)(=O)C

DOS

IR

Vibrations