Geometry & MOs

Info

ID:	199689
PubChem CID:	79283035
Reduced:	N5C16H27 (1)
Stoich.:	A5B16C27 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	43.47
Dipole, Da:	4.72
IP(EA), eV:	-8.43(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-piperazin-1-ylethylcarbamoyl(prop-2-ynyl)amino]acetic acid

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)N2C3=C(C(=NN3CC)C)N=C2N

DOS

IR

Vibrations