Geometry & MOs

Info

ID:	426257
PubChem CID:	135142943
Reduced:	O2N6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	296.138559
ΔH_f, kcal/mol:	-36.22
Dipole, Da:	3.58
IP(EA), eV:	-8.89(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)pyrazol-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)COC(=O)NCC1=NC2=CN=C3C(=C2N1C4CCC(CC4)CC#N)C=CN3

DOS

IR

Vibrations