Geometry & MOs

Info

ID:	432251
PubChem CID:	135172383
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	501.27399
ΔH_f, kcal/mol:	-23.31
Dipole, Da:	0.75
IP(EA), eV:	-8.29(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16E)-11-[2-(4-methylpiperazin-1-yl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)OCCCN2CCN(CC2)C

DOS

IR

Vibrations