Geometry & MOs

Info

ID:	289114
PubChem CID:	104336374
Reduced:	ClON3C15H24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	257.12949
ΔH_f, kcal/mol:	-46.0
Dipole, Da:	4.42
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(2,3-dimethylbutyl)-2-(methoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)C2=CC(=NC(=N2)COCC)Cl)C

DOS

IR

Vibrations