Geometry & MOs

Info

ID:	280476
PubChem CID:	103849475
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	-120.95
Dipole, Da:	2.6
IP(EA), eV:	-9.75(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2(CCOC2)O)Br

DOS

IR

Vibrations