Geometry & MOs

Info

ID:	324003
PubChem CID:	126676747
Reduced:	N2O7C32H38 (1)
Stoich.:	A2B7C32D38 (1)
Weight, g/mol:	479.254592
ΔH_f, kcal/mol:	-230.42
Dipole, Da:	5.71
IP(EA), eV:	-8.62(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)OCCNCOC(=O)C(C3CCCC3)(C4=CC=CC=C4)O)OC

DOS

IR

Vibrations