Geometry & MOs

Info

ID:	350012
PubChem CID:	127276885
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-0.09
Dipole, Da:	2.47
IP(EA), eV:	-9.01(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(oxolan-3-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)C3(CCCCC3)C#N

DOS

IR

Vibrations