Geometry & MOs

Info

ID:	417127
PubChem CID:	135091407
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	506.216535
ΔH_f, kcal/mol:	-23.2
Dipole, Da:	4.27
IP(EA), eV:	-8.89(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-14-(1H-pyrazole-4-carbonyl)-17,20-dioxa-11,14-diazatetracyclo[19.2.2.02,11.03,8]pentacosa-1(23),3,5,7,21,24-hexaen-12-one

Drug info:

PubChemData

Smile

CC(C)N1C=NC=C1CN2CCC3(CC2)CCO3

DOS

IR

Vibrations