Geometry & MOs

Info

ID:	84442
PubChem CID:	49866449
Reduced:	PN2O9C14H23 (1)
Stoich.:	AB2C9D14E23 (1)
Weight, g/mol:	351.052302
ΔH_f, kcal/mol:	-466.69
Dipole, Da:	1.78
IP(EA), eV:	-9.64(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine

Drug info:

PubChemData

Smile

CCCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O

DOS

IR

Vibrations