Geometry & MOs

Info

ID:	154695
PubChem CID:	56314197
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	449.0375
ΔH_f, kcal/mol:	-134.55
Dipole, Da:	5.94
IP(EA), eV:	-9.36(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-5-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)CN1C(=O)C2(CCCCC2)N(C1=O)C)C3=CC=CC=C3

DOS

IR

Vibrations