Geometry & MOs

Info

ID:	192893
PubChem CID:	78322463
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	1.18
Dipole, Da:	2.09
IP(EA), eV:	-8.34(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(4-methylpiperazin-1-yl)-10-(4-methylpiperidin-1-yl)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaen-8-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)NN=C2C3=CC(=NC=N3)NCCOC

DOS

IR

Vibrations