Geometry & MOs

Info

ID:	148312
PubChem CID:	53787974
Reduced:	SN2O5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-123.65
Dipole, Da:	14.14
IP(EA), eV:	-8.95(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopentylmethyl)-2-methoxybenzaldehyde

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C=C(C(=NC3=CC=C(C=C3)S(=O)(=O)O)O2)C=O

DOS

IR

Vibrations