Geometry & MOs

Info

ID:	148354
PubChem CID:	53788016
Reduced:	N3O5H15C17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	327.174691
ΔH_f, kcal/mol:	-108.39
Dipole, Da:	4.51
IP(EA), eV:	-9.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R)-3-aminobutyl]-5-(2-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)NNC(=O)N3C(=COC3=O)O

DOS

IR

Vibrations