Geometry & MOs

Info

ID:	28539
PubChem CID:	828232
Reduced:	NC6H7 (3)
Stoich.:	AB6C7 (3)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	69.15
Dipole, Da:	3.96
IP(EA), eV:	-7.51(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=N

DOS

IR

Vibrations