Geometry & MOs

Info

ID:	49296
PubChem CID:	11532676
Reduced:	ClFO2N6C22H24 (1)
Stoich.:	ABC2D6E22F24 (1)
Weight, g/mol:	459.171355
ΔH_f, kcal/mol:	-34.15
Dipole, Da:	5.43
IP(EA), eV:	-9.05(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-2,5-dihydro-1,4-benzodiazepin-3-one

Drug info:

PubChemData

Smile

CN1CC(C1)(C(=O)N)N(C)CC2=CC3=C(C=C2OC)N=CN=C3NC4=C(C(=CC=C4)Cl)F

DOS

IR

Vibrations