Geometry & MOs

Info

ID:	179254
PubChem CID:	76456347
Reduced:	ClO5C22H35 (1)
Stoich.:	AB5C22D35 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-267.16
Dipole, Da:	3.19
IP(EA), eV:	-9.14(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-3-ylmethyl 2-(pyridin-3-ylamino)propanoate

Drug info:

PubChemData

Smile

CC(CCCCCl)C(C=CC1C(CC2C1CC(=CCCCC(=O)OC)O2)O)O

DOS

IR

Vibrations