Geometry & MOs

Info

ID:	309828
PubChem CID:	126561092
Reduced:	NH18C23 (2)
Stoich.:	AB18C23 (2)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	182.35
Dipole, Da:	5.01
IP(EA), eV:	-8.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-[(1-acetylpiperidin-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC3=C2N(C4=CC=CC=C34)C5=CC=C(C=C5)[C@@H](CC6=CC=CC=C6)C7=CC8=CC=CC=C8C=C7)N=C1C9=CC=CC=C9)C

DOS

IR

Vibrations