Geometry & MOs

Info

ID:	45455
PubChem CID:	10513694
Reduced:	NO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	-210.19
Dipole, Da:	2.43
IP(EA), eV:	-9.99(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Drug info:

PubChemData

Smile

CC[C@H]([C@H](C(C)C)NC(=O)OC)C(=O)OC

DOS

IR

Vibrations