Geometry & MOs

Info

ID:	428
PubChem CID:	2754
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-27.72
Dipole, Da:	5.91
IP(EA), eV:	-8.47(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4

DOS

IR

Vibrations