Geometry & MOs

Info

ID:	416648
PubChem CID:	135089955
Reduced:	OF3N4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	549.258734
ΔH_f, kcal/mol:	-152.88
Dipole, Da:	5.93
IP(EA), eV:	-8.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-14-[4-(1,2,4-triazol-1-yl)butanoyl]-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

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations