Geometry & MOs

Info

ID:	141887
PubChem CID:	52945679
Reduced:	ClON2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	324.077789
ΔH_f, kcal/mol:	7.41
Dipole, Da:	5.44
IP(EA), eV:	-8.52(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-7-methoxy-1,2-dihydropyrazolo[3,4-b][1,4]benzodiazepine

Drug info:

PubChemData

Smile

CCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)OC.Cl

DOS

IR

Vibrations