Geometry & MOs

Info

ID:	262777
PubChem CID:	103316622
Reduced:	BrN3C12H18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	238.121846
ΔH_f, kcal/mol:	32.46
Dipole, Da:	4.51
IP(EA), eV:	-8.4(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)C1=C(C2=NCC3CCCC3N2N1)Br

DOS

IR

Vibrations