Geometry & MOs

Info

ID:	361992
PubChem CID:	127305338
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	23.86
Dipole, Da:	3.73
IP(EA), eV:	-9.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylquinolin-3-yl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N3CCOC(C3)CN4C=CC=N4)C

DOS

IR

Vibrations