Geometry & MOs

Info

ID:	198271
PubChem CID:	79079162
Reduced:	ClN3C17H20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	38.78
Dipole, Da:	5.25
IP(EA), eV:	-7.95(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[4-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)NC2CCCC3=C2N=CC=C3)Cl

DOS

IR

Vibrations