Geometry & MOs

Info

ID:	132517
PubChem CID:	51374056
Reduced:	N2O2C18H19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-19.18
Dipole, Da:	2.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.289965
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(dimethylazaniumyl)-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=CC2=[NH+]1)OC)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations