Geometry & MOs

Info

ID:	323703
PubChem CID:	126675765
Reduced:	ON7C19H23 (1)
Stoich.:	AB7C19D23 (1)
Weight, g/mol:	388.212393
ΔH_f, kcal/mol:	83.74
Dipole, Da:	6.42
IP(EA), eV:	-8.29(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCCO)N2C=C(C=N2)CC3=CC(=NC4=C3NNN4)N

DOS

IR

Vibrations