Geometry & MOs

Info

ID:	336360
PubChem CID:	127255367
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	324.204907
ΔH_f, kcal/mol:	-86.72
Dipole, Da:	4.6
IP(EA), eV:	-8.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid;propan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)C(=O)OC)N

DOS

IR

Vibrations