Geometry & MOs

Info

ID:	209385
PubChem CID:	80663508
Reduced:	ICl2N2C7H7 (1)
Stoich.:	AB2C2D7E7 (1)
Weight, g/mol:	269.165876
ΔH_f, kcal/mol:	27.54
Dipole, Da:	2.85
IP(EA), eV:	-9.99(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C(C)Cl)Cl)I

DOS

IR

Vibrations