Geometry & MOs

Info

ID:	296624
PubChem CID:	117586057
Reduced:	ON4C14H26 (1)
Stoich.:	AB4C14D26 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	-44.56
Dipole, Da:	2.6
IP(EA), eV:	-8.55(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-methyl-6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N(C)CC(C)C)N(C)CCCO

DOS

IR

Vibrations