Geometry & MOs

Info

ID:	199597
PubChem CID:	79268790
Reduced:	BrN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	205.132746
ΔH_f, kcal/mol:	-62.4
Dipole, Da:	6.84
IP(EA), eV:	-8.63(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)N(CC1=CNC2=C1C=C(C=C2)Br)CC(=O)O

DOS

IR

Vibrations