Geometry & MOs

Info

ID:	209998
PubChem CID:	80749167
Reduced:	BrN6C14H17 (1)
Stoich.:	AB6C14D17 (1)
Weight, g/mol:	348.09496
ΔH_f, kcal/mol:	58.61
Dipole, Da:	3.64
IP(EA), eV:	-8.67(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2=NC(=NC(=N2)N)N3CCCC3)Br

DOS

IR

Vibrations