Geometry & MOs

Info

ID:	259224
PubChem CID:	103162172
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-109.84
Dipole, Da:	3.39
IP(EA), eV:	-9.58(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-phenylacetic acid

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)O

DOS

IR

Vibrations