Geometry & MOs

Info

ID:	199687
PubChem CID:	79283033
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-51.51
Dipole, Da:	3.69
IP(EA), eV:	-8.87(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,4-diazepane-1-carbonyl(prop-2-ynyl)amino]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCN(CC#C)CC(=O)O

DOS

IR

Vibrations