Geometry & MOs

Info

ID:	324205
PubChem CID:	126677139
Reduced:	ClNOF4H6C14 (1)
Stoich.:	ABCD4E6F14 (1)
Weight, g/mol:	336.181093
ΔH_f, kcal/mol:	-182.48
Dipole, Da:	4.97
IP(EA), eV:	-9.95(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)C2=C(C=C(C(=C2)C#N)Cl)O)F

DOS

IR

Vibrations