Geometry & MOs

Info

ID:	262283
PubChem CID:	103282261
Reduced:	F3N3C14H14 (1)
Stoich.:	A3B3C14D14 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-106.19
Dipole, Da:	6.35
IP(EA), eV:	-8.25(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-(4-aminophenyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1CC(N=C2N1C=C(N2)C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations