Geometry & MOs

Info

ID:	199698
PubChem CID:	79283044
Reduced:	N2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	255.121906
ΔH_f, kcal/mol:	-109.83
Dipole, Da:	7.78
IP(EA), eV:	-9.98(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

CCCCCC(C)NC(=O)N(CC#C)CC(=O)O

DOS

IR

Vibrations