Geometry & MOs

Info

ID:	323814
PubChem CID:	126676247
Reduced:	O2N4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	385.201494
ΔH_f, kcal/mol:	-31.55
Dipole, Da:	5.86
IP(EA), eV:	-9.24(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[(2E)-4-benzyl-2-methylpenta-2,4-dienyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=C(N=C2)N)C(=O)N)C(=O)N

DOS

IR

Vibrations