Geometry & MOs

Info

ID:	145962
PubChem CID:	53618487
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	-124.23
Dipole, Da:	2.19
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-quinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CC(C)(C)C(CN1CCN(CC1)C(=O)C2=CC3=C(COC3)C=C2)O

DOS

IR

Vibrations