Geometry & MOs

Info

ID:	79872
PubChem CID:	49830941
Reduced:	N3H11C13 (1)
Stoich.:	A3B11C13 (1)
Weight, g/mol:	410.166666
ΔH_f, kcal/mol:	84.93
Dipole, Da:	3.94
IP(EA), eV:	-8.07(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC3=CN=C(N32)N

DOS

IR

Vibrations