Geometry & MOs

Info

ID:	421024
PubChem CID:	135115250
Reduced:	O6N8C37H50 (1)
Stoich.:	A6B8C37D50 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-219.01
Dipole, Da:	4.53
IP(EA), eV:	-8.72(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-methyl-5-propylpyrimidin-4-yl)amino]piperidin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCNC(=O)[C@@H](NC(=O)C1)CC3=CC=C(C=C3)O)NC(=O)C4=CC(=NN4)C5=CC=CN5C)C(C)C

DOS

IR

Vibrations