Geometry & MOs

Info

ID:	352362
PubChem CID:	127283449
Reduced:	O3N7C18H23 (1)
Stoich.:	A3B7C18D23 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-38.46
Dipole, Da:	3.03
IP(EA), eV:	-9.15(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=NN4C)C

DOS

IR

Vibrations