Geometry & MOs

Info

ID:	142166
PubChem CID:	52994465
Reduced:	ClNOC25H28 (1)
Stoich.:	ABCD25E28 (1)
Weight, g/mol:	351.109817
ΔH_f, kcal/mol:	-23.74
Dipole, Da:	2.65
IP(EA), eV:	-9.16(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N'-[(Z)-(4-methyl-2,6-dioxopyrimidin-5-ylidene)methyl]-3-phenylpropanehydrazide;hydrochloride

Drug info:

PubChemData

Smile

CC1C(NC(CC1(CC2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4.Cl

DOS

IR

Vibrations