Geometry & MOs

Info

ID:	323675
PubChem CID:	126675714
Reduced:	NO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	415.186906
ΔH_f, kcal/mol:	-184.73
Dipole, Da:	0.62
IP(EA), eV:	-9.03(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[3-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazol-4-yl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H]1COC2=CC=CC(=C2)CO

DOS

IR

Vibrations