Geometry & MOs

Info

ID:	296128
PubChem CID:	117557307
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	336.02219
ΔH_f, kcal/mol:	-83.16
Dipole, Da:	6.76
IP(EA), eV:	-9.23(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(4-bromoanilino)-2-methylpyrimidin-4-yl]amino]acetic acid

Drug info:

PubChemData

Smile

CCC(C)NC1=NC(=NC(=C1)NCC(=O)O)C

DOS

IR

Vibrations