Geometry & MOs

Info

ID:	219143
PubChem CID:	85090877
Reduced:	F3N5O5C30H36 (1)
Stoich.:	A3B5C5D30E36 (1)
Weight, g/mol:	608.21602
ΔH_f, kcal/mol:	-301.45
Dipole, Da:	13.86
IP(EA), eV:	-8.52(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)N(CC=CC1=CC(=C(N)N)C=CC1=O)C2=CC(=C(C=C2)OC3CCN(CC3)C(=N)C)C(F)(F)F

DOS

IR

Vibrations