Geometry & MOs

Info

ID:	128945
PubChem CID:	51064091
Reduced:	ON6H10C11 (1)
Stoich.:	AB6C10D11 (1)
Weight, g/mol:	197.045486
ΔH_f, kcal/mol:	99.07
Dipole, Da:	11.69
IP(EA), eV:	-9.15(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-methoxy-3-(methylamino)-4-oxobutanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C3=NC=NC(=O)C3=NN2)N

DOS

IR

Vibrations