Geometry & MOs

Info

ID:	55114
PubChem CID:	17389781
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-49.51
Dipole, Da:	6.21
IP(EA), eV:	-9.68(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethenyl-3-(pyridine-4-carbonyl)azepan-2-one

Drug info:

PubChemData

Smile

CN1CCCC(C1=O)C(=O)C2=CC=NC=C2

DOS

IR

Vibrations