Geometry & MOs

Info

ID:	26428
PubChem CID:	647588
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	472.222289
ΔH_f, kcal/mol:	-94.63
Dipole, Da:	4.46
IP(EA), eV:	-8.77(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1,3-benzodioxol-5-ylmethyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C(C)C

DOS

IR

Vibrations