Geometry & MOs

Info

ID:	419702
PubChem CID:	135108722
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	335.210996
ΔH_f, kcal/mol:	-74.59
Dipole, Da:	5.06
IP(EA), eV:	-8.71(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7,8-trimethyl-2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)CN3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations