Geometry & MOs

Info

ID:	364799
PubChem CID:	127316140
Reduced:	ON4C19H32 (1)
Stoich.:	AB4C19D32 (1)
Weight, g/mol:	390.05522
ΔH_f, kcal/mol:	-56.21
Dipole, Da:	4.95
IP(EA), eV:	-9.01(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)CC(=O)N2CCN(CC2)CC3=NC=CN3

DOS

IR

Vibrations