Geometry & MOs

Info

ID:	253812
PubChem CID:	103120816
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	-11.71
Dipole, Da:	4.34
IP(EA), eV:	-8.94(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CNCCC1CCN(CC1)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations