Geometry & MOs

Info

ID:	357640
PubChem CID:	127294313
Reduced:	SF3N7C16H18 (1)
Stoich.:	AB3C7D16E18 (1)
Weight, g/mol:	380.168477
ΔH_f, kcal/mol:	-29.13
Dipole, Da:	10.05
IP(EA), eV:	-9.24(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

DOS

IR

Vibrations