Geometry & MOs

Info

ID:	182733
PubChem CID:	76931751
Reduced:	N5C16H23 (1)
Stoich.:	A5B16C23 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	56.43
Dipole, Da:	4.58
IP(EA), eV:	-7.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-oxo-1,4-diazepane-1-carbonyl)-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

CC1C(CNN1)CCCNC2=C3C=CN=CC3=C(C=C2)N

DOS

IR

Vibrations