Geometry & MOs

Info

ID:	324221
PubChem CID:	126677174
Reduced:	FNO4C16H22 (1)
Stoich.:	ABC4D16E22 (1)
Weight, g/mol:	440.224849
ΔH_f, kcal/mol:	-226.43
Dipole, Da:	3.33
IP(EA), eV:	-9.18(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(Z)-3-amino-4,4-difluoro-2-[(3-piperidin-4-ylphenyl)methyliminomethyl]but-2-enyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC1CO)OC2=CC=C(C=C2)F

DOS

IR

Vibrations