Geometry & MOs

Info

ID:	183311
PubChem CID:	77006021
Reduced:	N2O2C13H26 (1)
Stoich.:	A2B2C13D26 (1)
Weight, g/mol:	237.097663
ΔH_f, kcal/mol:	-101.93
Dipole, Da:	3.52
IP(EA), eV:	-8.48(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CCN(C)C)CC(=CC(=O)O)C

DOS

IR

Vibrations