Geometry & MOs

Info

ID:	297285
PubChem CID:	117614472
Reduced:	ClPSN5O6C34H53 (1)
Stoich.:	ABCD5E6F34G53 (1)
Weight, g/mol:	193.157898
ΔH_f, kcal/mol:	-330.38
Dipole, Da:	5.95
IP(EA), eV:	-9.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diethyl-6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)NCCNP(=O)(OC[C@@H]1OC(CS1)N2C=CC(=NC2=O)N)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations