Geometry & MOs

Info

ID:	272423
PubChem CID:	103742814
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	256.109089
ΔH_f, kcal/mol:	-125.21
Dipole, Da:	4.49
IP(EA), eV:	-8.99(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1(C(CC1OC)NC2=C(N(C(=O)NC2=O)C)N)C

DOS

IR

Vibrations