Geometry & MOs

Info

ID:	213967
PubChem CID:	81065601
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	262.092912
ΔH_f, kcal/mol:	-134.23
Dipole, Da:	6.7
IP(EA), eV:	-9.14(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[5-(trifluoromethyl)pyridin-2-yl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)N)NCC(C)CC(=O)O

DOS

IR

Vibrations