Geometry & MOs

Info

ID:	5908
PubChem CID:	14009
Reduced:	ClFO2N4C26H32 (1)
Stoich.:	ABC2D4E26F32 (1)
Weight, g/mol:	486.219782
ΔH_f, kcal/mol:	-75.33
Dipole, Da:	4.29
IP(EA), eV:	-8.35(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-[3-[4-(2-ethoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CCOCCN1CCN(CC1)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F

DOS

IR

Vibrations