Geometry & MOs

Info

ID:	199669
PubChem CID:	79280087
Reduced:	BrClSN4C14H14 (1)
Stoich.:	ABCD4E14F14 (1)
Weight, g/mol:	244.142307
ΔH_f, kcal/mol:	68.94
Dipole, Da:	1.88
IP(EA), eV:	-9.12(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropyl-[2-(2-methoxyethylamino)acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)N2C(=NC3=C2N=CC(=C3)Br)CCCl

DOS

IR

Vibrations