Geometry & MOs

Info

ID:	350228
PubChem CID:	127277306
Reduced:	FN3O4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-206.85
Dipole, Da:	5.78
IP(EA), eV:	-9.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCN(CC1)C(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations