Geometry & MOs

Info

ID:	172310
PubChem CID:	75495037
Reduced:	IOSN5C14H22 (1)
Stoich.:	ABCD5E14F22 (1)
Weight, g/mol:	296.116092
ΔH_f, kcal/mol:	51.22
Dipole, Da:	2.2
IP(EA), eV:	-8.86(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[(E)-3-pyridin-2-ylprop-2-enoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCNC(=NCC1=NOC(=N1)C)N(C)CC2=C(C=CS2)C.I

DOS

IR

Vibrations