Geometry & MOs

Info

ID:	152983
PubChem CID:	56312088
Reduced:	FN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-129.2
Dipole, Da:	5.32
IP(EA), eV:	-8.45(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N(C)CC2=CC=CC=C2F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations