Geometry & MOs

Info

ID:	296579
PubChem CID:	117584976
Reduced:	O3N4C12H14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	336.02219
ΔH_f, kcal/mol:	-60.81
Dipole, Da:	6.93
IP(EA), eV:	-9.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(2-bromo-N-methylanilino)pyrimidin-4-yl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(O1)N(C)C2=NC=NC(=C2)NCC(=O)O

DOS

IR

Vibrations