Geometry & MOs

Info

ID:	296617
PubChem CID:	117585822
Reduced:	N5C14H27 (1)
Stoich.:	A5B14C27 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	-5.27
Dipole, Da:	2.97
IP(EA), eV:	-8.61(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methyl-6-[methyl(1H-pyrrol-2-yl)amino]pyrimidin-4-yl]amino]acetic acid

Drug info:

PubChemData

Smile

CCC(C)(C)CNC1=NC(=NC(=C1)NCCNC)C

DOS

IR

Vibrations