Geometry & MOs

Info

ID:	46819
PubChem CID:	10527548
Reduced:	N2O6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	451.25834
ΔH_f, kcal/mol:	-202.67
Dipole, Da:	11.58
IP(EA), eV:	-8.35(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)ethyl]-4-oxo-4-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-N-propylbutanamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)NC(=O)OC3CCCC3)C(=O)C=C1CC4=C(C=C(C=C4)C(=O)O)OC

DOS

IR

Vibrations