Geometry & MOs

Info

ID:	323582
PubChem CID:	126675518
Reduced:	O2N9C23H25 (1)
Stoich.:	A2B9C23D25 (1)
Weight, g/mol:	387.191992
ΔH_f, kcal/mol:	51.48
Dipole, Da:	5.6
IP(EA), eV:	-8.38(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C=C(C=N2)CC3=CC(=NC(=C3N)NN)N)C(=O)NCC4=CNC(=O)C=C4

DOS

IR

Vibrations