Geometry & MOs

Info

ID:	423635
PubChem CID:	135119882
Reduced:	ClO4N7C31H32 (1)
Stoich.:	AB4C7D31E32 (1)
Weight, g/mol:	275.154624
ΔH_f, kcal/mol:	-44.86
Dipole, Da:	3.23
IP(EA), eV:	-9.39(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-N,4-N-dimethyl-2-N-(1-pyridin-4-ylpropyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CNC(=O)[C@@H](NC(=O)C2=CC(=C(C=C2)OCCCN3C=C(CN(C1)C(=O)C4=CC=NC=C4)N=N3)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations