Geometry & MOs

Info

ID:	214181
PubChem CID:	81087273
Reduced:	O2N3C13H25 (1)
Stoich.:	A2B3C13D25 (1)
Weight, g/mol:	298.150427
ΔH_f, kcal/mol:	-118.88
Dipole, Da:	3.47
IP(EA), eV:	-9.25(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-(aminomethyl)pentanoyl-(2,2,2-trifluoroethyl)amino]propanoate

Drug info:

PubChemData

Smile

CCC(CC(=O)N(CC(=O)N)C1CCCC1)CN

DOS

IR

Vibrations