Geometry & MOs

Info

ID:	161646
PubChem CID:	57392241
Reduced:	N2O2H16C19 (1)
Stoich.:	A2B2C16D19 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	-11.89
Dipole, Da:	3.57
IP(EA), eV:	-8.65(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C(=O)C4=C(C3=NC=C2)C=C(C=C4)NCCCO

DOS

IR

Vibrations