Geometry & MOs

Info

ID:	262769
PubChem CID:	103315622
Reduced:	F3N3C14H14 (1)
Stoich.:	A3B3C14D14 (1)
Weight, g/mol:	325.11536
ΔH_f, kcal/mol:	-85.63
Dipole, Da:	3.96
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-pentan-3-yl-1,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCN=C3N2NC(=C3)C(F)(F)F

DOS

IR

Vibrations