Geometry & MOs

Info

ID:	199654
PubChem CID:	79277202
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	214.131742
ΔH_f, kcal/mol:	9.07
Dipole, Da:	5.44
IP(EA), eV:	-8.95(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(methylamino)-4-oxobutyl]-prop-2-enylamino]acetic acid

Drug info:

PubChemData

Smile

C=CCN(CC1=CN2C=CC=CC2=C1C#N)CC(=O)O

DOS

IR

Vibrations