Geometry & MOs

Info

ID:	26380
PubChem CID:	645622
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	490.269239
ΔH_f, kcal/mol:	-95.0
Dipole, Da:	3.2
IP(EA), eV:	-8.47(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations