Geometry & MOs

Info

ID:	187639
PubChem CID:	77602014
Reduced:	N2O2C15H16 (2)
Stoich.:	A2B2C15D16 (2)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-73.77
Dipole, Da:	7.21
IP(EA), eV:	-9.42(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methylpiperazin-1-yl)acetyl]-4H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CC1CN(C2C1OCC2=O)C(=O)C(C3CCCC3)N(C4=CC=CC=C4)C(=O)C5=CC(=CC=C5)N6C=CN=C6

DOS

IR

Vibrations