Geometry & MOs

Info

ID:	296584
PubChem CID:	117585288
Reduced:	BrON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	266.210661
ΔH_f, kcal/mol:	8.54
Dipole, Da:	5.01
IP(EA), eV:	-9.21(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[methyl(4-methylpentyl)amino]pyrimidin-4-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=NC=NC(=C2)NCCCO)Br

DOS

IR

Vibrations