Geometry & MOs

Info

ID:	432124
PubChem CID:	135172256
Reduced:	O3N5C25H35 (1)
Stoich.:	A3B5C25D35 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-72.8
Dipole, Da:	3.59
IP(EA), eV:	-8.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-(pyrimidin-2-ylamino)phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NC=C(C=N3)C=NC

DOS

IR

Vibrations