Geometry & MOs

Info

ID:	26486
PubChem CID:	650093
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	436.258674
ΔH_f, kcal/mol:	-9.71
Dipole, Da:	5.84
IP(EA), eV:	-9.22(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3=CC=CC=C3N=N2)C(=O)N4CCOCC4

DOS

IR

Vibrations