Geometry & MOs

Info

ID:	286795
PubChem CID:	104222410
Reduced:	BrON5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	281.02761
ΔH_f, kcal/mol:	63.57
Dipole, Da:	5.78
IP(EA), eV:	-9.41(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-bromopyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

COCCNCC1=CN=C(N=C1)N2C=C(C=N2)Br

DOS

IR

Vibrations