Geometry & MOs

Info

ID:	261984
PubChem CID:	103264488
Reduced:	BrNO2C10H18 (1)
Stoich.:	ABC2D10E18 (1)
Weight, g/mol:	237.097663
ΔH_f, kcal/mol:	-101.95
Dipole, Da:	3.18
IP(EA), eV:	-9.52(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[(hex-5-yn-3-ylamino)methyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCNCC(=C)Br

DOS

IR

Vibrations