Geometry & MOs

Info

ID:	159618
PubChem CID:	57288541
Reduced:	SO8C22H30 (1)
Stoich.:	AB8C22D30 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-342.95
Dipole, Da:	7.05
IP(EA), eV:	-9.29(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(4-carbamimidoylpiperidin-1-yl)acetate

Drug info:

PubChemData

Smile

CC(C)COC(=O)C1=CC(=C(C(=C1O)S(=O)(=O)C2=CCCCC2)C(=O)OCC(C)C)O

DOS

IR

Vibrations