Geometry & MOs

Info

ID:	122206
PubChem CID:	50798105
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	464.257612
ΔH_f, kcal/mol:	-66.15
Dipole, Da:	6.55
IP(EA), eV:	-8.29(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)C2=NN3CCCN(C(=O)C3=C2)CC4=CC=CC=C4)OC

DOS

IR

Vibrations