Geometry & MOs

Info

ID:	415956
PubChem CID:	135088958
Reduced:	FN2O3C25H31 (1)
Stoich.:	AB2C3D25E31 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-129.52
Dipole, Da:	3.63
IP(EA), eV:	-8.41(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)CC3=CC(=C(C=C3)OC)OCC4=CC(=CC=C4)F

DOS

IR

Vibrations