Geometry & MOs

Info

ID:	154809
PubChem CID:	56314334
Reduced:	BrO2N5H20C23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	403.05315
ΔH_f, kcal/mol:	25.3
Dipole, Da:	3.25
IP(EA), eV:	-9.31(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations