Geometry & MOs

Info

ID:	153851
PubChem CID:	56313177
Reduced:	BrO2N4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	467.04807
ΔH_f, kcal/mol:	5.13
Dipole, Da:	5.36
IP(EA), eV:	-9.26(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations