Geometry & MOs

Info

ID:	199701
PubChem CID:	79283259
Reduced:	BrN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	4.1
IP(EA), eV:	-9.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethylpiperidine-1-carbonyl)-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)NC(=O)N(CC#C)CC(=O)O

DOS

IR

Vibrations