Geometry & MOs

Info

ID:	296572
PubChem CID:	117584589
Reduced:	BrN5C14H18 (1)
Stoich.:	AB5C14D18 (1)
Weight, g/mol:	261.138974
ΔH_f, kcal/mol:	59.04
Dipole, Da:	4.06
IP(EA), eV:	-8.94(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(2-aminoethyl)-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)N(C)C2=NC=NC(=C2)NCCN

DOS

IR

Vibrations