Geometry & MOs

Info

ID:	445655
PubChem CID:	135268769
Reduced:	F3C14H19 (1)
Stoich.:	A3B14C19 (1)
Weight, g/mol:	368.20124
ΔH_f, kcal/mol:	-181.85
Dipole, Da:	3.01
IP(EA), eV:	-9.45(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-1-[(4-fluorophenyl)methyl]-4,6,6-trimethyl-9-methylidene-7H-pyrrolo[1,2-a]purine

Drug info:

PubChemData

Smile

CCC(C1=CC=CC(=C1)CC(F)(F)F)C(C)C

DOS

IR

Vibrations