Geometry & MOs

Info

ID:	221237
PubChem CID:	85261623
Reduced:	NO2C17H23 (2)
Stoich.:	AB2C17D23 (2)
Weight, g/mol:	550.17321
ΔH_f, kcal/mol:	-136.65
Dipole, Da:	3.03
IP(EA), eV:	-8.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzyl-3-(4-bromophenyl)-5-(4-methylphenyl)-7-phenyl-2,3,3a,6,7,8a-hexahydro-1H-pyrazolo[3,4-b][1,4]diazepine

Drug info:

PubChemData

Smile

CC(C1C(CC2(C1(CC=C3C2CCC4C(=C3)CCC(C4(C)C=O)NC(=O)C5=CC=CC=C5)C)C)OC(=O)C)NC

DOS

IR

Vibrations