Geometry & MOs

Info

ID:	323572
PubChem CID:	126675498
Reduced:	ON6C14H16 (1)
Stoich.:	AB6C14D16 (1)
Weight, g/mol:	326.104672
ΔH_f, kcal/mol:	32.83
Dipole, Da:	5.67
IP(EA), eV:	-8.31(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-3-amine

Drug info:

PubChemData

Smile

C1=CC(=O)NC=C1N=C/C(=C\N)/CC2=CC(=NC(=C2)N)N

DOS

IR

Vibrations