Geometry & MOs

Info

ID:	323601
PubChem CID:	126675555
Reduced:	SN8C22H32 (1)
Stoich.:	AB8C22D32 (1)
Weight, g/mol:	399.180758
ΔH_f, kcal/mol:	86.87
Dipole, Da:	6.12
IP(EA), eV:	-8.28(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)SC2=CC=CC(=C2)CN=C/C(=C\N)/CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations