Geometry & MOs

Info

ID:	264446
PubChem CID:	103462449
Reduced:	ClN3O3C13H20 (1)
Stoich.:	AB3C3D13E20 (1)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	-109.15
Dipole, Da:	4.01
IP(EA), eV:	-9.66(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylbutyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC(C)(C)CNC1=C(C(=O)N(N=C1)CC(=O)OC)Cl

DOS

IR

Vibrations