Geometry & MOs

Info

ID:	148935
PubChem CID:	53788605
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-59.01
Dipole, Da:	7.08
IP(EA), eV:	-8.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cinnolin-4-yl-[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=C(C=C1)C2=NNC(=O)CC2)SCC

DOS

IR

Vibrations