Geometry & MOs

Info

ID:	433936
PubChem CID:	135174083
Reduced:	ClON5C23H24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	425.161853
ΔH_f, kcal/mol:	37.48
Dipole, Da:	2.04
IP(EA), eV:	-8.89(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N-dibenzyl-6-N-tert-butyl-2-chloro-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=C(C(=NC(=N2)Cl)N(CC3=CC=CC=C3)CC4=CC=CC=C4)NC1=O

DOS

IR

Vibrations