Geometry & MOs

Info

ID:	199695
PubChem CID:	79283041
Reduced:	N2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-127.15
Dipole, Da:	6.81
IP(EA), eV:	-9.84(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyclopropylpiperazine-1-carbonyl)-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

CN(CC1CCCCO1)C(=O)N(CC#C)CC(=O)O

DOS

IR

Vibrations