Geometry & MOs

Info

ID:	199685
PubChem CID:	79283031
Reduced:	N5C16H25 (1)
Stoich.:	A5B16C25 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	60.83
Dipole, Da:	5.22
IP(EA), eV:	-8.35(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=N1)C)N=C(N2C(C)C3CC4CCC3C4)N

DOS

IR

Vibrations