Geometry & MOs

Info

ID:	125200
PubChem CID:	50914728
Reduced:	SN5O7H27C28 (1)
Stoich.:	AB5C7D27E28 (1)
Weight, g/mol:	451.166269
ΔH_f, kcal/mol:	-163.4
Dipole, Da:	9.41
IP(EA), eV:	-8.88(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-chlorophenyl)-3-(2-cyclopentylacetyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)OC3CCN(C3=O)C)OC4=CC=C(C=C4)C5=NN=C(O5)C

DOS

IR

Vibrations