Geometry & MOs

Info

ID:	13855
PubChem CID:	399381
Reduced:	ClON5C19H26 (1)
Stoich.:	ABC5D19E26 (1)
Weight, g/mol:	375.182588
ΔH_f, kcal/mol:	-16.64
Dipole, Da:	1.77
IP(EA), eV:	-8.95(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol

Drug info:

PubChemData

Smile

C1CC(CC1CCC2=CC=CC=C2)(CNC3=C(C(=NC(=N3)N)Cl)N)CO

DOS

IR

Vibrations