Geometry & MOs

Info

ID:	177668
PubChem CID:	76210931
Reduced:	O2N5C12H23 (1)
Stoich.:	A2B5C12D23 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-16.39
Dipole, Da:	3.71
IP(EA), eV:	-9.12(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylmethyl)-4-hydroxy-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

COCCN(CCCN1C=CN=C1)CCC(=NO)N

DOS

IR

Vibrations