Geometry & MOs

Info

ID:	369172
PubChem CID:	127331473
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-56.92
Dipole, Da:	5.86
IP(EA), eV:	-9.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NCC3CCCOC3C(C)(C)C

DOS

IR

Vibrations